SCHEMBL8433113

SCHEMBL8433113

CC(C)N[C@@H](C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACP3 P15309 2/20 0.52
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
SMPD1 P17405 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
CASR P41180 1/20 0.48

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
SCHEMBL278474 1.00 SIGMAR1 (0.57) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL8433689 1.00 SIGMAR1 (0.57) SIGMAR1GAAL3MBTL1ACP3CYP3A4
Benzene SCHEMBL10772069 1.00 SIGMAR1 (0.57) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL5399360 0.97 SIGMAR1 (0.55) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL283979 0.89 SIGMAR1 (0.61) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL30763462 0.89 SIGMAR1 (0.61) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL3749295 0.89 SIGMAR1 (0.61) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL8437895 0.89 SIGMAR1 (0.61) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL1200137 0.89 SIGMAR1 (0.61) SIGMAR1GAAL3MBTL1ACP3CYP3A4
Hydrochloric Acid SCHEMBL607712 0.86 SIGMAR1 (0.59) SIGMAR1GAAL3MBTL1ACP3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059041-A1 BENZO-FUSED N-HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed
US-11840550-B2 Silyl-biaryl phosphoramidites and methods of making BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-11840550-B2 Silyl-biaryl phosphoramidites and methods of making BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-20220002328-A1 SILYL-BIARYL PHOSPHORAMIDITES AND METHODS OF MAKING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-01-06 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-7196095-B2 (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196095-B2 (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-5977409-A Method of using α-substituted benzylamine chiral auxiliary synthetic reagents UNIVERSITY OF TOLEDO (US) 1999-11-02 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 (10 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-11840550-B2 Silyl-biaryl phosphoramidites and methods of making PAICS, PGLS, SCLY SIGMAR1 2728/4885GAA 775/4885L3MBTL1 600/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 SIGMAR1 139/4885GAA 2573/4885L3MBTL1 4408/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 SIGMAR1 2386/4885GAA 1440/4885L3MBTL1 4321/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 SIGMAR1 709/4885GAA 252/4885L3MBTL1 4861/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB SIGMAR1 3726/4885GAA 657/4885L3MBTL1 4436/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 SIGMAR1 765/4885GAA 955/4885L3MBTL1 2697/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 SIGMAR1 219/4885GAA 1061/4885L3MBTL1 2441/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B SIGMAR1 856/4885GAA 923/4885L3MBTL1 4535/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR SIGMAR1 1196/4885GAA 216/4885L3MBTL1 4878/4885
US-20220002328-A1 SILYL-BIARYL PHOSPHORAMIDITES AND METHODS OF MAKING PAICS, PGLS, SCLY SIGMAR1 2728/4885GAA 775/4885L3MBTL1 600/4885

“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.