SCHEMBL6415941

SCHEMBL6415941

O=C(NC1CC2CC1CN2)c1ccn2cc(Br)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CHRNA7 P36544 8/20 0.35
METTL3 Q86U44 3/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR3A P46098 1/20 0.31
CHRM4 P08173 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
SCHEMBL6415275 0.88 NPC1 (0.40) NPC1RAB9ACHRNA7METTL3KDM4E
SCHEMBL6417451 0.88 NPC1 (0.38) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6419849 0.85 KDM4E (0.40) NPC1RAB9ACHRNA7METTL3KDM4E
SCHEMBL6412767 0.85 NPC1 (0.35) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6417945 0.85 NPC1 (0.35) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6415961 0.83 NAMPT (0.45) CHRNA7HTR3A
SCHEMBL7033391 0.81 NPC1 (0.36) NPC1RAB9ACHRNA7CHRM4
SCHEMBL6410363 0.81 NPC1 (0.36) NPC1RAB9ACHRNA7CHRM4
SCHEMBL6417476 0.81 NPC1 (0.34) NPC1RAB9ACHRNA7
SCHEMBL6418618 0.81 CHRNA7 (0.50) CHRNA7HTR3A

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.