SCHEMBL6417949

SCHEMBL6417949

O=C(N[C@@H]1CC2CCN(C2)C1)c1ccc2cccn2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.62
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HPGDS O60760 1/20 0.36
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL6412568 1.00 CHRNA7 (0.62) CHRNA7MAPTRAB9AHPGDSHTR3A
SCHEMBL6412566 1.00 CHRNA7 (0.62) CHRNA7MAPTRAB9AHPGDSHTR3A
SCHEMBL6419282 0.83 CHRNA7 (0.67) CHRNA7
SCHEMBL6412606 0.83 CHRNA7 (0.67) CHRNA7
SCHEMBL6412613 0.83 CHRNA7 (0.67) CHRNA7
SCHEMBL6413465 0.83 CHRNA7 (0.59) CHRNA7RAB9AHPGDS
SCHEMBL6417558 0.83 CHRNA7 (0.59) CHRNA7RAB9AHPGDS
SCHEMBL6413327 0.83 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6412617 0.83 CHRNA7 (0.59) CHRNA7HPGDSHTR3AHTR3EHTR3B
SCHEMBL6413470 0.83 CHRNA7 (0.59) CHRNA7RAB9AHPGDS

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 1475/4885MAPT 1989/4885RAB9A 2031/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885MAPT 1657/4885RAB9A 871/4885

“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.