SCHEMBL719765

SCHEMBL719765

Cc1nc2cc3c(cc2[nH]1)CCN(C)CC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
HTR3A P46098 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17090678 0.94 MAOA (0.45) DRD2CHRNB2CHRNA4MAPTKDM4E
SCHEMBL13072448 0.84 CHRNB2 (0.39) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL3478940 0.84 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL13998791 0.84 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL14648511 0.82 CHRNB2 (0.45) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL720947 0.81 CHRNB2 (0.47) DRD2CHRNB2CHRNA4MAPTKDM4E
SCHEMBL12440388 0.79 CHRNB2 (0.43) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL13072959 0.78 CHRNB2 (0.45) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438886 0.77 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438631 0.77 CHRNB2 (0.50) CHRNB2CHRNA4MAPTKDM4EPOLB

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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US claimed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO claimed
US-9139569-B2 Fused tricyclic aryl compounds useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 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 (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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 DRD2 282/4885CHRNB2 5/4885CHRNA4 4/4885
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, AADAC DRD2 4419/4885CHRNB2 4860/4885CHRNA4 4840/4885

“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.