SCHEMBL3607046

SCHEMBL3607046

CC1C(Oc2ccc(-c3cccc4ncccc34)cn2)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 12/20 0.41
ACVRL1 P37023 10/20 0.41
BMPR1B O00238 9/20 0.41
BMPR1A P36894 8/20 0.40
CNR2 P34972 1/20 0.39
ACVR1B P36896 3/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
CREBBP Q92793 1/20 0.38
BMP4 P12644 1/20 0.38
KDR P35968 1/20 0.38
FASN P49327 2/20 0.38
TGFBR1 P36897 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL3621667 0.81 ALOX5 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3621662 0.81 ALOX5 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3618119 0.81 ADRA2A (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3616802 0.81 TDO2 (0.35) CNR2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3618118 0.81 ADRA2A (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3616800 0.81 TDO2 (0.35) CNR2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3616911 0.81 CHRNA7 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3616910 0.81 CHRNA7 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3616333 0.80 FAAH (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3616337 0.80 FAAH (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657010-B2 Substituted quinuclidines as alpha 7-nicotinic acetylcholine receptor activity modulators NOVARTIS AG (CH) 2017-05-23 US disclosed
US-20140057921-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8609662-B2 3-(heteroaryl-oxy)-2-alkyl-1-aza-bicycloalkyl derivatives as alpha. 7-nachr ligands for the treatment of CNS diseases NOVARTIS AG (CH) 2013-12-17 US disclosed
EP-2457911-A1 3-(heteroaryl-oxy)-2-alkyl-1-aza-bicycloalkyl derivatives as alpha.7-nAChR ligands for the treatment of CNS diseases. Novartis AG (CH) 2012-05-30 EP disclosed
US-20100093746-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG 2010-04-15 US disclosed
US-20080194573-A1 Psychological and neurodegenerative disorders; nicotinic acetylcholine receptors NOVARTIS AG (CH) 2008-08-14 US 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-20080194573-A1 Psychological and neurodegenerative disorders; nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 ACVR1 2055/4885ACVRL1 1283/4885BMPR1B 1564/4885
US-20100093746-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES CHRNA7, CHRNA5, CHRNA2 ACVR1 1903/4885ACVRL1 1309/4885BMPR1B 2559/4885
US-20140057921-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES CHRNA7, CHRNA5, CHRNA2 ACVR1 1903/4885ACVRL1 1309/4885BMPR1B 2559/4885

“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.