SCHEMBL856434

SCHEMBL856434

NCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
IDO1 P14902 2/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 3/20 0.42
KCNH2 Q12809 3/20 0.42
TRAP1 Q12931 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
PDE2A O00408 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2B Q13224 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Ethylamine SCHEMBL4235858 0.94 SLC6A4 (0.43) PNMTIDO1SLC6A4SLC6A2HTR2A
SCHEMBL18266605 0.85 PNMT (0.41) PNMTSLC6A4SLC6A2HTR2AKCNH2
SCHEMBL14157106 0.85 TAAR1 (0.50) PNMTIDO1SLC6A4SLC6A2HTR2A
SCHEMBL963581 0.84 DAO (0.48) PNMTIDO1SLC6A4HTR2AKCNH2
SCHEMBL10656350 0.83 SLC6A4 (0.48) IDO1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL27573863 0.83 KCNH2 (0.46) PNMTIDO1SLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL968626 0.82 DAO (0.47) PNMTIDO1SLC6A4HTR2AKCNH2
SCHEMBL894411 0.82 TAAR1 (0.43) IDO1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL5436712 0.82 SLC6A4 (0.43) IDO1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL5500906 0.80 IDO1 (0.43) IDO1SLC6A4SLC6A2HTR2AKCNH2

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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US claimed
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists RAQUALIA PHARMA INC. (JP) 2021-08-03 US disclosed
US-20210085667-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-03-25 US disclosed
US-20200405706-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2020-12-31 US disclosed
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2019-08-29 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 EP disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 US disclosed
US-6376712-B2 REDUCTION OF THE CORRESPONDING OXIME COMPOUND CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-23 US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 WO disclosed
US-20020013500-A1 Process for producing trifluoromethylbenzylamines CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-31 US disclosed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 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 (9 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 PNMT 1739/4885IDO1 1493/4885SLC6A4 1511/4885
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 PNMT 2977/4885IDO1 380/4885SLC6A4 2583/4885
US-20200405706-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 PNMT 2406/4885IDO1 1515/4885SLC6A4 171/4885
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists P2RX7, P2RX3, P2RX1 PNMT 2406/4885IDO1 1515/4885SLC6A4 171/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 PNMT 1891/4885IDO1 2053/4885SLC6A4 2527/4885
US-20020013500-A1 Process for producing trifluoromethylbenzylamines MAOB, CYP2F1, AGL PNMT 124/4885IDO1 49/4885SLC6A4 3784/4885
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 PNMT 2406/4885IDO1 1515/4885SLC6A4 171/4885
US-20210085667-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 PNMT 2406/4885IDO1 1515/4885SLC6A4 171/4885
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 PNMT 893/4885IDO1 4238/4885SLC6A4 3954/4885

“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.