SCHEMBL6418609

SCHEMBL6418609

Cc1ccc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cn12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM1A O60341 1/20 0.32
CHRM4 P08173 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL6418909 0.87 CHRNA7 (0.34) CHRNA7IRAK4KDM1ACHRNB2CHRNA4
SCHEMBL6417400 0.87 CHRNB2 (0.34) CHRNA7IRAK4SLC6A4SLC6A3CHRM4
SCHEMBL6417793 0.85 KDM1A (0.32) IRAK4KDM1A
SCHEMBL6419861 0.85 KDM1A (0.36) IRAK4KDM1ACHRNB2CHRNA4
SCHEMBL6410500 0.85 SLC6A2 (0.33) IRAK4SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL6416553 0.83 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL6414036 0.82 CHRNA7 (0.43) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL6417795 0.82 CHRM4 (0.34) CHRNA7CHRM4NPC1RAB9AGRM5
SCHEMBL6412739 0.81 KDM1A (0.31) KDM1A
SCHEMBL6417953 0.81 IRAK4 (0.33) IRAK4SLC6A2SLC6A4SLC6A3KDM1A

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 1475/4885IRAK4 2148/4885SLC6A2 3428/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885IRAK4 1829/4885SLC6A2 1831/4885

“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.