SCHEMBL96686

SCHEMBL96686

COC1CN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.55
▸ CHRM1 P11229 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CHRM4 P08173 1/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ CHRNA7 P36544 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL9289352 1.00 CHRM2 (0.55) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL15170714 0.88 — —
SCHEMBL173191 0.88 — —
SCHEMBL96778 0.82 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL13570076 0.82 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL12017242 0.79 CHRM1 (0.58) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL13300984 0.79 CHRM1 (0.58) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL9094744 0.79 CHRM1 (0.58) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL24854140 0.77 CHRM2 (0.52) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL9097759 0.76 CHRM1 (0.55) CHRM2CHRM1CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 — — US disclosed
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 — — EP disclosed
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 — — EP disclosed
WO-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 — — WO disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 — — US disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 — — EP disclosed
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-04-30 — — US disclosed
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-04-30 — — US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 — — US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 — — US disclosed
WO-2008066874-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2008-06-05 — — WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 — — WO disclosed
US-5508405-A CHOLINERGIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1996-04-16 — — US disclosed
US-5286864-A Deprotonation and salt formation with sodium hydride; alkylation, deprotecting BOEHRINGER INGELHEIM KG (DE) 1994-02-15 — — US disclosed
EP-0370415-B1 QUINUCLIDINES, THEIR PHARMACEUTICAL USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-06-02 — — EP disclosed
EP-0370415-A1 Quinuclidines, their pharmaceutical use and process for their preparation BOEHRINGER INGELHEIM KG (DE) 1990-05-30 — — 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-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM2 4407/4885CHRM1 3780/4885CYP2D6 3479/4885
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders PMP22, CNR2, COQ8A CHRM2 3726/4885CHRM1 3794/4885CYP2D6 220/4885
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK CHRM2 1149/4885CHRM1 742/4885CYP2D6 2850/4885

“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.

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