SCHEMBL3618744

SCHEMBL3618744

O=Cc1cc2cc(Cl)ccc2s1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.62
TDP1 Q9NUW8 1/20 0.39
CMA1 P23946 1/20 0.38
ERN1 O75460 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CHRNA7 P36544 2/20 0.36
HTR3A P46098 2/20 0.36
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
PSMB8 P28062 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4385517 0.85 CYP2A6 (0.58) CYP2A6TDP1CMA1ERN1KDM4E
SCHEMBL29953847 0.77 CYP2A6 (0.62) CYP2A6TDP1KDM4ECHRNA7HSD17B10
SCHEMBL793305 0.77 CYP2A6 (0.62) CYP2A6KDM4ECHRNA7HTR3AALDH1A1
SCHEMBL13659121 0.77 CYP2A6 (0.62) CYP2A6HPGD
SCHEMBL1397680 0.77 CYP2A6 (1.00) CYP2A6TDP1CHRNA7HTR3AALDH1A1
SCHEMBL2019385 0.77 CYP2A6 (0.62) CYP2A6ERN1ALDH1A1
SCHEMBL12683402 0.77 CYP2A6 (0.61) CYP2A6
SCHEMBL3609679 0.76 ITGB2 (0.42) CYP2A6KDM4ECHRNA7HTR3AALDH1A1
SCHEMBL3609682 0.76 ITGB2 (0.42) CYP2A6KDM4ECHRNA7HTR3AALDH1A1
SCHEMBL6962098 0.75 CYP2A6 (0.37) CYP2A6CMA1KDM4ECHRNA7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 WO disclosed
US-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2022-06-14 US disclosed
US-20190276398-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2019-09-12 US disclosed
US-10239832-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-26 US disclosed
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
EP-2947085-B1 OXAZOLIDONE COMPOUNDS, METHOD FOR PREPARING AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2017-09-13 EP disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
EP-2947085-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-11-25 EP disclosed
WO-2015065937-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2015-05-07 WO disclosed
US-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EGIS GYOGYSZERGYAR NYRT (HU) 2012-09-13 US disclosed
WO-2012120206-A1 NOVEL DIHYDRO-OXAZOLOBENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2012-09-13 WO disclosed
EP-2497774-A1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds Les Laboratoires Servier (FR) 2012-09-12 EP disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed
US-4224330-A Esters and thiolesters of benzothienyl acids ZOECON CORPORATION (US) 1980-09-23 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 (6 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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 CYP2A6 4531/4885TDP1 752/4885CMA1 1495/4885
US-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 CYP2A6 2162/4885TDP1 1294/4885CMA1 117/4885
US-20190276398-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 CYP2A6 2162/4885TDP1 1294/4885CMA1 117/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 CYP2A6 2107/4885TDP1 1376/4885CMA1 144/4885
US-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GRIN2C, GRIN2B, GRIN2A CYP2A6 179/4885TDP1 2103/4885CMA1 3834/4885
US-10239832-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 CYP2A6 2107/4885TDP1 1376/4885CMA1 144/4885

“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.