SCHEMBL20090975

SCHEMBL20090975

CCCC(CC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
EPHX1 P07099 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
HTR2C P28335 1/20 0.42
MC4R P32245 1/20 0.42
ACP3 P15309 2/20 0.42
CES2 O00748 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19541914 0.93 PNMT (0.51) PNMTTAS1R3TAS1R1EPHX1MEN1
SCHEMBL21124992 0.90 EPHX1 (0.48) PNMTTAS1R3TAS1R1EPHX1MEN1
SCHEMBL13951834 0.90 PNMT (0.54) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL21868754 0.88 PNMT (0.44) PNMTTAS1R3TAS1R1EPHX1MEN1
SCHEMBL18885429 0.88 PNMT (0.44) PNMTTAS1R3TAS1R1EPHX1MEN1
SCHEMBL18885350 0.87 EPHX1 (0.48) PNMTTAS1R3TAS1R1EPHX1MEN1
SCHEMBL22357736 0.85 GRIA4 (0.38) PNMTTAS1R3TAS1R1EPHX1ALDH1A1
SCHEMBL21129503 0.84 PNMT (0.44) PNMTTAS1R3TAS1R1EPHX1MEN1
SCHEMBL12384049 0.84 TAAR1 (0.51) PNMTEPHX1CYP1A2CYP3A4IDO1
SCHEMBL18593507 0.83 PNMT (0.53) PNMTMEN1ALDH1A1CYP1A2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG TIANJIN JIKUN MEDICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 US disclosed
US-10519113-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-12-31 US disclosed
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 US disclosed
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-09-24 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-07-30 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20190202789-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2019-07-04 US disclosed
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-23 US disclosed
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-07-26 US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE LYCERA CORPORATION 2018-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10519113-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer MAP3K1, KSR1, MAP3K11 PNMT 4168/4885TAS1R3 2033/4885TAS1R1 2019/4885
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 PNMT 932/4885TAS1R3 4498/4885TAS1R1 4410/4885
US-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE RORB, RORA, RORC PNMT 4800/4885TAS1R3 3031/4885TAS1R1 2180/4885
US-20190202789-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER MAP3K1, KSR1, MAP3K11 PNMT 4168/4885TAS1R3 2033/4885TAS1R1 2019/4885
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG FGFR1, FGFR3, FGFR4 PNMT 4061/4885TAS1R3 1308/4885TAS1R1 2094/4885
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK PNMT 4001/4885TAS1R3 4460/4885TAS1R1 4517/4885
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 PNMT 4565/4885TAS1R3 129/4885TAS1R1 124/4885
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB PNMT 4011/4885TAS1R3 721/4885TAS1R1 785/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK PNMT 4001/4885TAS1R3 4460/4885TAS1R1 4517/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PNMT 107/4885TAS1R3 2452/4885TAS1R1 1374/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK PNMT 4001/4885TAS1R3 4460/4885TAS1R1 4517/4885
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB PNMT 4011/4885TAS1R3 721/4885TAS1R1 785/4885
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC PNMT 4836/4885TAS1R3 3029/4885TAS1R1 2343/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK PNMT 4001/4885TAS1R3 4460/4885TAS1R1 4517/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC PNMT 3586/4885TAS1R3 1094/4885TAS1R1 1175/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 PNMT 932/4885TAS1R3 4498/4885TAS1R1 4410/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.