SCHEMBL8433689

SCHEMBL8433689

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
SCHEMBL8433113 1.00 SIGMAR1 (0.57) SIGMAR1GAAL3MBTL1ACP3CYP3A4
SCHEMBL278474 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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327050-A Bimetal synergistic promotion system and application thereof in asymmetric synthesis of (S, S) -TBAJ-587 上海交通大学 2024-01-02 CN 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-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2023-11-23 US disclosed
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 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-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 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 (11 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-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 SIGMAR1 4807/4885GAA 2410/4885L3MBTL1 719/4885
US-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI SIGMAR1 2868/4885GAA 3502/4885L3MBTL1 1604/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB SIGMAR1 3726/4885GAA 657/4885L3MBTL1 4436/4885
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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 SIGMAR1 1681/4885GAA 841/4885L3MBTL1 4194/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B SIGMAR1 856/4885GAA 923/4885L3MBTL1 4535/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A SIGMAR1 929/4885GAA 1079/4885L3MBTL1 203/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 SIGMAR1 1681/4885GAA 841/4885L3MBTL1 4194/4885
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.