SCHEMBL8045774

SCHEMBL8045774

Cc1ccc(C2CC3CCC2N3)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.70
CHRNA4 P43681 6/20 0.70
CHRNA7 P36544 4/20 0.70
CHRNB4 P30926 3/20 0.70
CHRNA3 P32297 3/20 0.70
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
CHRNA1 P02708 1/20 0.70
CHRNG P07510 1/20 0.70
CHRNB1 P11230 1/20 0.70
HPGD P15428 1/20 0.70
CHRND Q07001 1/20 0.70
CHRNA2 Q15822 1/20 0.70
TDP1 Q9NUW8 1/20 0.70

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
SCHEMBL7663147 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13596272 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
(-)-Epibatidine SCHEMBL2500147 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL29390446 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL316978 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
(+)-Epibatidine SCHEMBL316977 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL9070584 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13632123 0.81 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13596309 0.81 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL10122811 0.81 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US claimed
US-9504645-B2 Pharmaceutical formulations for treating ocular conditions Oyster Point Pharma, Inc. (US) 2016-11-29 US disclosed
US-20160106746-A1 PHARMACEUTICAL FORMULATIONS FOR TREATING OCULAR CONDITIONS OYSTER POINT PHARMA INC. 2016-04-21 US disclosed
US-20160106745-A1 DRY EYE TREATMENTS OYSTER POINT PHARMA INC. 2016-04-21 US disclosed
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US disclosed
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 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 (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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 CHRNB2 36/4885CHRNA4 4/4885CHRNA7 13/4885
US-20160106746-A1 PHARMACEUTICAL FORMULATIONS FOR TREATING OCULAR CONDITIONS EYA3, EYA2, LIPA CHRNB2 2572/4885CHRNA4 3615/4885CHRNA7 2979/4885
US-20160106745-A1 DRY EYE TREATMENTS PDE6D, CRYAB, ALDH1A2 CHRNB2 1787/4885CHRNA4 2137/4885CHRNA7 1937/4885

“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.