SCHEMBL6412490

SCHEMBL6412490

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccn2cc(Cl)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.50
GRM5 P41594 5/20 0.36
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
HTR3A P46098 2/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL6418418 0.87 CHRNA7 (0.50) CHRNA7SLC6A3HTR3AHTR3EHTR3B
SCHEMBL6414942 0.87 CHRNA7 (0.41) CHRNA7SLC6A3SLC6A4TAS1R3TAS1R1
SCHEMBL6411721 0.86 CHRNA7 (0.41) CHRNA7GRM5SLC6A3SLC6A4HTR3A
SCHEMBL6411398 0.84 CHRNA7 (0.39) CHRNA7SLC6A3SLC6A4
SCHEMBL6417844 0.84 CHRNA7 (0.39) CHRNA7GRM5
SCHEMBL6414838 0.84 CHRNA7 (0.43) CHRNA7GRM5HTR3AHTR3EHTR3B
SCHEMBL6417982 0.82 SLC6A3 (0.36) CHRNA7GRM5SLC6A3SLC6A4TAS1R3
SCHEMBL6415322 0.81 CHRNA7 (0.42) CHRNA7GRM5SLC6A3SLC6A4HTR3A
SCHEMBL6412974 0.81 NPC1 (0.38) CHRNA7GRM5SLC6A3SLC6A4TAS1R3
SCHEMBL6411869 0.80 NAMPT (0.41) CHRNA7GRM5

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-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US claimed
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 680/4885SLC6A3 3803/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885GRM5 74/4885SLC6A3 2347/4885

“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.