SCHEMBL721292

SCHEMBL721292

c1ccc(CNc2cnc3cc4c(cc3n2)CCNCC4)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.60
PDGFRA P16234 1/20 0.60
HTR2B P41595 4/20 0.48
ACHE P22303 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HTR2C P28335 3/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR3A P46098 1/20 0.43
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL718360 0.76 DRD2 (0.41) PDGFRBPDGFRAHTR2BHTR2CCHRM4
SCHEMBL4156930 0.76 PDGFRB (0.64) PDGFRBPDGFRAALDH1A1HPGDKDM4E
SCHEMBL3908370 0.75 PDGFRB (1.00) PDGFRBPDGFRAALDH1A1HPGDKDM4E
SCHEMBL3910327 0.74 PDGFRB (0.78) PDGFRBPDGFRAALDH1A1HPGDKDM4E
SCHEMBL780564 0.73 PDGFRB (0.61) PDGFRBPDGFRAACHEALDH1A1HPGD
SCHEMBL18171881 0.73 PDGFRB (0.61) PDGFRBPDGFRAALDH1A1HPGDKDM4E
SCHEMBL1620340 0.72 HTR2C (0.63) HTR2BACHEHTR2CCHRM4CHRM5
SCHEMBL780356 0.69 PDGFRB (0.56) PDGFRBPDGFRAALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL718879 0.68 PDGFRB (0.36) PDGFRBPDGFRAHTR2B
SCHEMBL719123 0.68 DRD2 (0.44) HTR2BHTR2CHTR2AALDH1A1

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 5 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
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

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 PDGFRB 1574/4885PDGFRA 1614/4885HTR2B 268/4885

“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.