SCHEMBL444016

SCHEMBL444016

[CH]1CCc2cnccc2N1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
CHRNA7 P36544 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2120615 0.84 CHRNB2 (0.42) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL737230 0.79
SCHEMBL29844361 0.72
SCHEMBL549069 0.72
Hydrochloric Acid SCHEMBL4461424 0.71 CHRNB2 (0.55) CHRNB2CHRNA4SIGMAR1CHRNA7MAPT
SCHEMBL20477944 0.70 NPC1 (0.43) MAPTGAA
SCHEMBL987978 0.69 SIGMAR1 (0.54) CHRNB2CHRNA4SIGMAR1MAPTGAA
SCHEMBL29597435 0.69 SIGMAR1 (0.54) CHRNB2CHRNA4SIGMAR1MAPTGAA
Hydrochloric Acid SCHEMBL23538210 0.68 SIGMAR1 (0.52) CHRNB2CHRNA4SIGMAR1MAPTGAA
SCHEMBL2879383 0.68 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1MAPTGAA

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 1252 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08509967-A 1996-10-22 JP claimed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP claimed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
US-12042513-B2 Proteolysis targeting chimeric molecules (PROTACs) with functional handles and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-23 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
CN-118339152-A Macrocyclic compounds having farnesyl transferase inhibitory activity 库拉肿瘤学公司 2024-07-12 CN disclosed
US-20240228671-A1 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240226302-A1 BIODEGRADABLE LIPIDS AND FORMULATIONS FOR INTRAMUSCULAR, IN VITRO, AND EX VIVO TRANSFECTION OF MRNA MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-11 US disclosed
WO-2024145281-A1 BIODEGRADABLE LIPIDS AND FORMULATIONS FOR INTRAMUSCULAR, IN VITRO, AND EX VIVO TRANSFECTION OF MRNA MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-04 WO disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO 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 (5 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-20240226302-A1 BIODEGRADABLE LIPIDS AND FORMULATIONS FOR INTRAMUSCULAR, IN VITRO, AND EX VIVO TRANSFECTION OF MRNA CPT1B, IGF2BP2, IGF2BP3 CHRNB2 2333/4885CHRNA4 2781/4885SIGMAR1 1334/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 CHRNB2 2058/4885CHRNA4 2465/4885SIGMAR1 2801/4885
US-20240228671-A1 POLYPEPTIDYL LINKERS VIP, DNPEP, PREP CHRNB2 4440/4885CHRNA4 4768/4885SIGMAR1 4729/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CHRNB2 3217/4885CHRNA4 2950/4885SIGMAR1 98/4885
US-12042513-B2 Proteolysis targeting chimeric molecules (PROTACs) with functional handles and uses thereof CRBN, PSMA6, PSMA3 CHRNB2 4325/4885CHRNA4 4718/4885SIGMAR1 4158/4885

“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.