SCHEMBL6412608

SCHEMBL6412608

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc2cncn2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.59
NAMPT P43490 1/20 0.43
HDAC1 Q13547 1/20 0.41
USP30 Q70CQ3 1/20 0.34
CYP17A1 P05093 1/20 0.34
HPGDS O60760 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6412602 1.00 CHRNA7 (0.59) CHRNA7NAMPTHDAC1USP30CYP17A1
SCHEMBL6412617 1.00 CHRNA7 (0.59) CHRNA7NAMPTHDAC1USP30CYP17A1
SCHEMBL6419898 0.83 CHRNA7 (0.60) CHRNA7NAMPTCYP17A1
SCHEMBL6419894 0.83 CHRNA7 (0.60) CHRNA7NAMPTCYP17A1
SCHEMBL6415398 0.83 CHRNA7 (0.60) CHRNA7NAMPTCYP17A1
SCHEMBL6412568 0.83 CHRNA7 (0.62) CHRNA7HPGDSHTR3EHTR3BALOX15
SCHEMBL6417949 0.83 CHRNA7 (0.62) CHRNA7HPGDSHTR3EHTR3BALOX15
SCHEMBL6412566 0.83 CHRNA7 (0.62) CHRNA7HPGDSHTR3EHTR3BALOX15
SCHEMBL6411964 0.82 CHRNA7 (0.58) CHRNA7USP30HTR3EHTR3BHTR3A
SCHEMBL6411968 0.82 CHRNA7 (0.58) CHRNA7USP30HTR3EHTR3BHTR3A

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 7 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
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 1475/4885NAMPT 353/4885HDAC1 29/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885NAMPT 873/4885HDAC1 91/4885

“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.