SCHEMBL3515320

SCHEMBL3515320

OCCCc1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GBA1 P04062 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PLAU P00749 1/20 0.36
GRM2 Q14416 1/20 0.36
GLS O94925 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4768617 0.94 ADRA2A (0.39) CYP11B1CYP11B2GBA1KDM4EALDH1A1
SCHEMBL5650 0.88 GBA1 (0.42) CYP11B1CYP11B2GBA1KDM4EALDH1A1
SCHEMBL10461384 0.80 GBA1 (0.48) GBA1KDM4EALDH1A1GRM2GLS
SCHEMBL7424809 0.80 GBA1 (0.40) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL506458 0.79
SCHEMBL2358386 0.78 GBA1 (0.47) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL15270538 0.78 TSHR (0.50) KDM4EALDH1A1GLSRAB9ATSHR
SCHEMBL20133367 0.78 ESR1 (0.44) CYP11B1CYP11B2ALDH1A1
SCHEMBL9082300 0.77 KCNH2 (0.48) GBA1KDM4EALDH1A1ADRA2ARAB9A
SCHEMBL22748383 0.77 KCNH2 (0.48) GBA1KDM4EALDH1A1ADRA2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846669-B2 Oxazolidinone derivative and medical composition containing same LEGOCHEM BIOSCIENCES, INC. (KR) 2014-09-30 US disclosed
EP-2760854-A1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER Endo Pharmaceuticals Inc. (US) 2014-08-06 EP disclosed
US-20140179691-A1 NOVEL OXAZOLIDINONE DERIVATIVE AND MEDICAL COMPOSITION CONTAINING SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2014-06-26 US disclosed
WO-2013049565-A1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1157007-A1 PDE IV INHIBITING COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK FROSST CANADA INC. (CA) 2001-11-28 EP disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
WO-2000050402-A1 PDE IV INHIBITING COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 2000-08-31 WO disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed
US-4937251-A TREATING ASTHMA AND BRONCHITIS; ADRENERGIC STIMULANTS GLAXO GROUP LIMITED (GB) 1990-06-26 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 (4 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR CYP11B1 1233/4885CYP11B2 1522/4885GBA1 3245/4885
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 CYP11B1 667/4885CYP11B2 824/4885GBA1 1199/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CYP11B1 559/4885CYP11B2 436/4885GBA1 4305/4885
US-20140179691-A1 NOVEL OXAZOLIDINONE DERIVATIVE AND MEDICAL COMPOSITION CONTAINING SAME OXA1L, PAM, ABCC1 CYP11B1 366/4885CYP11B2 637/4885GBA1 3238/4885

“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.