SCHEMBL1469953

SCHEMBL1469953

CCNC(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
CASR P41180 2/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
SMPD1 P17405 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
HTR2B P41595 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61

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
SCHEMBL9019451 1.00 CYP3A4 (0.61) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL8366747 1.00 CYP3A4 (0.61) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL3881699 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL3881700 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL5471668 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL24406703 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL12747746 0.82 ACACB (0.53) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL12964248 0.82 CYP3A4 (0.68) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL12964253 0.82 CYP3A4 (0.68) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL172559 0.82 CYP3A4 (0.68) CYP3A4CASRCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500429-B Preparation method of Reidesciclovir intermediate 东南大学 2022-04-12 CN claimed
CN-112500429-A Preparation method of Reidesciclovir intermediate 东南大学 2021-03-16 CN claimed
EP-2552891-A1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE Healthcare Limited (GB) 2013-02-06 EP claimed
WO-2011117421-A1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LIMITED (GB) 2011-09-29 WO claimed
US-20110070161-A1 ACTIVE ENANTIOMER GE HEALTHCARE LIMITED (GB) 2011-03-24 US claimed
US-20250136552-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2025-05-01 US disclosed
EP-4436664-A1 ANTAGONISTS OF CAV 2.3 Lario Therapeutics Limited (GB) 2024-10-02 EP disclosed
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
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
EP-4032884-A1 CRYSTAL OF 1,3,5-TRIAZINE DERIVATIVE OR SOLVATE THEREOF AND METHOD FOR PRODUCING SAME Shionogi & Co., Ltd. (JP) 2022-07-27 EP disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
CN-112500429-B Preparation method of Reidesciclovir intermediate 东南大学 2022-04-12 CN disclosed
US-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
WO-1995016674-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1995-06-22 WO disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP disclosed
EP-0514540-A1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-11-25 EP disclosed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 WO disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 EP 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 (3 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-20110070161-A1 ACTIVE ENANTIOMER GABRA5, GABRP, GABRA4 CYP3A4 132/4885CASR 2805/4885CHRM2 558/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR CYP3A4 48/4885CASR 4225/4885CHRM2 1595/4885
US-20250136552-A1 ANTAGONISTS OF CAV 2.3 CACNA1E, CACNA1A, CACNA1S CYP3A4 2976/4885CASR 190/4885CHRM2 239/4885

“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.