SCHEMBL9097794

SCHEMBL9097794

COCC1CN2CCC1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA4 P43681 2/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRM2 P08172 6/20 0.39
▸ CHRM1 P11229 4/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36

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
SCHEMBL9095986 0.79 CHRNA4 (0.37) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL12395706 0.78 CHRNA4 (0.36) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL7530689 0.75 CHRNA7 (0.36) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL21573624 0.75 CHRNA7 (0.42) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL2607983 0.75 CHRNA7 (0.42) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL14027182 0.75 CHRNA7 (0.42) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL12663106 0.71 CHRNA4 (0.40) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL9095797 0.71 CHRM2 (0.54) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL3217728 0.71 ALDH1A1 (0.40) CHRNA4CHRNB2CHRM2CHRM1CHRM3
SCHEMBL12614403 0.71 CHRM2 (0.43) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-5508405-A CHOLINERGIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1996-04-16 — — US disclosed
US-5451587-A 3-(2-PROPYNYLOXY)-1-AZABICYCLO(2.2.2)OCTANE FOR TREATING ALZHEIMER*S DISEASE BOEHRINGER INGELHEIM GMBH (DE) 1995-09-19 — — 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 (2 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 CHRNA4 3868/4885CHRNB2 3164/4885CHRM2 4407/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRNA4 3868/4885CHRNB2 3164/4885CHRM2 4407/4885

“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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