SCHEMBL6417451

SCHEMBL6417451

O=C(NC1CC2CC1CN2)c1ccn2cc(Cl)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRNA7 P36544 3/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SUV39H2 Q9H5I1 4/20 0.33
CHRM4 P08173 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
F10 P00742 3/20 0.32
USP30 Q70CQ3 1/20 0.32
HTR3A P46098 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
SCHEMBL6415941 0.88 NPC1 (0.36) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6415275 0.88 NPC1 (0.40) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6420882 0.85 HPGDS (0.40) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6417945 0.85 NPC1 (0.35) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6412767 0.85 NPC1 (0.35) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6415961 0.83 NAMPT (0.45) CHRNA7HTR3A
SCHEMBL6412974 0.81 NPC1 (0.38) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6413960 0.81 NPC1 (0.36) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6412280 0.81 CHRNA7 (0.50) NPC1RAB9ACHRNA7F10HTR3A
SCHEMBL6412769 0.81 CHRNA7 (0.35) CHRNA7CHRM4TAS1R3TAS1R1TAS1R2

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 NPC1 142/4885RAB9A 2031/4885CHRNA7 1475/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 NPC1 221/4885RAB9A 871/4885CHRNA7 1/4885

“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.