SCHEMBL720637

SCHEMBL720637

c1cnc2cc3c(cc2n1)CCNCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.50
ADCY3 O60266 1/20 0.50
ADCY9 O60503 1/20 0.50
ADCY5 O95622 1/20 0.50
ADCY8 P40145 1/20 0.50
ADCY7 P51828 1/20 0.50
ADCY2 Q08462 1/20 0.50
ADCY1 Q08828 1/20 0.50
ADCY4 Q8NFM4 1/20 0.50
DRD2 P14416 3/20 0.47
HTR2C P28335 6/20 0.43
HTR2B P41595 5/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTR2A P28223 2/20 0.43
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA1 P02708 1/20 0.41
ESR1 P03372 1/20 0.41
CHRNG P07510 1/20 0.41

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
Hydrochloric Acid SCHEMBL722803 0.98 ADCY6 (0.48) ADCY6ADCY3ADCY9ADCY5ADCY8
Hydrochloric Acid SCHEMBL720409 0.98 ADCY6 (0.48) ADCY6ADCY3ADCY9ADCY5ADCY8
Bicarbonate SCHEMBL3710915 0.87 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
Bicarbonate SCHEMBL3710916 0.87 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
Bicarbonate SCHEMBL3710914 0.85 ADCY6 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
Succinic Acid SCHEMBL720125 0.84 ADCY6 (0.41) ADCY6ADCY3ADCY9ADCY5ADCY8
Succinic Acid SCHEMBL720126 0.84 ADCY6 (0.41) ADCY6ADCY3ADCY9ADCY5ADCY8
Cadaverine Tartrate SCHEMBL720159 0.82 ADCY6 (0.40) ADCY6ADCY3ADCY9ADCY5ADCY8
Cadaverine Tartrate SCHEMBL720160 0.82 ADCY6 (0.40) ADCY6ADCY3ADCY9ADCY5ADCY8
Cadaverine Tartrate SCHEMBL718876 0.82 ADCY6 (0.40) ADCY6ADCY3ADCY9ADCY5ADCY8

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 11 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 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
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO disclosed
WO-2009039944-A1 PHENOTHIAZINE DERIVATIVE HAVING A DOUBLE BOND, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A PHARMACEUTICAL SANOFI-AVENTIS (FR) 2009-04-02 WO disclosed
WO-2009021740-A2 SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFIS-AVENTIS (FR) 2009-02-19 WO disclosed
WO-2008058628-A1 NOVEL 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL GROUPS, METHOD FOR PRODUCING DRUGS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-22 WO disclosed
WO-2008052658-A1 NOVEL DIPHENYLAZETIDINONE SUBSTITUTED BY PIPERAZINE-1-SULFONIC ACID HAVING IMPROVED PHARMACOLOGICAL PROPERTIES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-08 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 (1 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 ADCY6 1033/4885ADCY3 724/4885ADCY9 887/4885

“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.