SCHEMBL6413730

SCHEMBL6413730

O=C(NC1CC2CNC1C2)c1ccn2cc(Cl)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.47
GRM5 P41594 5/20 0.34
TRPV1 Q8NER1 2/20 0.33
HTR3A P46098 2/20 0.32
F10 P00742 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL6411658 0.87 CHRNA7 (0.39) CHRNA7F10TAS1R3TAS1R1TAS1R2
SCHEMBL6418521 0.87 CHRNA7 (0.47) CHRNA7
SCHEMBL6417960 0.86 CHRNA7 (0.39) CHRNA7GRM5TRPV1HTR3ATAS1R3
SCHEMBL6412411 0.84 CHRNA7 (0.37) CHRNA7
SCHEMBL6411983 0.84 CHRNA7 (0.37) CHRNA7GRM5
SCHEMBL6411706 0.84 CHRNA7 (0.41) CHRNA7GRM5TRPV1F10
SCHEMBL6411693 0.82 TAS1R3 (0.34) CHRNA7GRM5TRPV1F10TAS1R3
SCHEMBL6412091 0.81 CHRNA7 (0.40) CHRNA7GRM5TRPV1HTR3AF10
SCHEMBL6413960 0.81 NPC1 (0.36) CHRNA7GRM5TRPV1F10TAS1R3
SCHEMBL6411936 0.80 NAMPT (0.41) CHRNA7

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 4 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
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (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 1475/4885GRM5 680/4885TRPV1 2510/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885GRM5 74/4885TRPV1 1221/4885

“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.