SCHEMBL6411797

SCHEMBL6411797

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccn2ccnc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.41
HSD11B1 P28845 2/20 0.40
NAMPT P43490 2/20 0.40
SSTR4 P31391 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TAS1R2 Q8TE23 3/20 0.37
BTK Q06187 1/20 0.36
NTRK1 P04629 1/20 0.34
HTR3A P46098 1/20 0.33
CHRNA7 P36544 1/20 0.33
HDAC4 P56524 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
SCHEMBL7035692 1.00 PIK3C3 (0.41) PIK3C3HSD11B1NAMPTSSTR4TAS1R3
SCHEMBL6411893 0.84 NAMPT (0.46) NAMPT
SCHEMBL6412974 0.83 NPC1 (0.38) TAS1R3TAS1R1TAS1R2CHRNA7
SCHEMBL6415309 0.83 HDAC1 (0.42) TAS1R3TAS1R1TAS1R2
SCHEMBL7033391 0.83 NPC1 (0.36) CHRNA7
SCHEMBL6410363 0.83 NPC1 (0.36) CHRNA7
SCHEMBL6417961 0.82 CHRNA7 (0.37) PIK3C3SSTR4HTR3ACHRNA7
SCHEMBL6414838 0.81 CHRNA7 (0.43) HTR3ACHRNA7
SCHEMBL6417962 0.80 SLC6A2 (0.35) CHRNA7
SCHEMBL6411631 0.80 KDM1A (0.37) TAS1R3TAS1R1TAS1R2

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 PIK3C3 2287/4885HSD11B1 272/4885NAMPT 353/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 PIK3C3 3817/4885HSD11B1 932/4885NAMPT 873/4885

“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.