SCHEMBL6979487

SCHEMBL6979487

CC(C)c1noc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.57
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 9/20 0.49
NOTUM Q6P988 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
PKM P14618 3/20 0.47
HPGD P15428 3/20 0.47
S1PR1 P21453 1/20 0.47
TP53 P04637 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46

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
Hydrochloric Acid SCHEMBL29485544 0.84 NR1H4 (0.52) NR1H4MAOAMAOBRAB9ANPC1
SCHEMBL10094556 0.83 MAOA (0.57) MAOAMAOBRAB9ANPC1NFKB1
SCHEMBL10094547 0.83 MAOA (0.57) NR1H4MAOAMAOBRAB9ANPC1
SCHEMBL10094548 0.81 MAOA (0.56) MAOAMAOBRAB9ANPC1SMN1; SMN2
SCHEMBL12197766 0.81 MAOA (0.56) NR1H4MAOAMAOBRAB9ANPC1
SCHEMBL3093842 0.81 ACHE (0.61) NR1H4MAOAMAOBRAB9ANPC1
SCHEMBL24482100 0.81 NPC1 (0.55) NR1H4MAOAMAOBRAB9ANPC1
SCHEMBL10094555 0.81 CHRNB2 (0.63) MAOAMAOBRAB9ANPC1NFKB1
SCHEMBL26294458 0.81 RAB9A (0.57) MAOAMAOBRAB9ANPC1NFKB1
SCHEMBL10094554 0.80 TP53 (0.56) MAOAMAOBRAB9ANPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 US disclosed
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-05 US disclosed
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 WO 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 (12 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-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH NR1H4 786/4885MAOA 887/4885MAOB 587/4885
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 NR1H4 47/4885MAOA 2154/4885MAOB 1386/4885
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 NR1H4 47/4885MAOA 2154/4885MAOB 1386/4885
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH NR1H4 856/4885MAOA 371/4885MAOB 307/4885
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH NR1H4 856/4885MAOA 371/4885MAOB 307/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NR1H4 1222/4885MAOA 72/4885MAOB 26/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 NR1H4 32/4885MAOA 1278/4885MAOB 722/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 NR1H4 30/4885MAOA 1078/4885MAOB 610/4885
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH NR1H4 856/4885MAOA 371/4885MAOB 307/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A NR1H4 874/4885MAOA 210/4885MAOB 193/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 NR1H4 4409/4885MAOA 2806/4885MAOB 2261/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 NR1H4 3011/4885MAOA 3105/4885MAOB 3132/4885

“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.