SCHEMBL6412908

SCHEMBL6412908

O=C(NC1CC2CC1CN2)c1ccn2c(Cl)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.44
HTR3A P46098 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
F10 P00742 3/20 0.33
GRM5 P41594 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL6415475 0.87 CHRNA7 (0.44) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6416877 0.87 CHRNA7 (0.44) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6413947 0.84 CHRNA7 (0.46) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6413995 0.84 CHRNA7 (0.34) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6413473 0.84 IRAK4 (0.35) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6413664 0.81 CHRNA7 (0.44) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6412280 0.81 CHRNA7 (0.50) CHRNA7HTR3AF10GRM5TRPV1
SCHEMBL6417563 0.81 CHRNA7 (0.37) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6415322 0.80 CHRNA7 (0.42) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6412091 0.80 CHRNA7 (0.40) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3

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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY CHRNA7 1475/4885HTR3A 2944/4885CHRNB2 3127/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885HTR3A 788/4885CHRNB2 39/4885

“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.