SCHEMBL6310896

SCHEMBL6310896

O=C(NC1CC2CC1CN2)c1ccc(Sc2ccc(Cl)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNA7 P36544 2/20 0.42
EZH2 Q15910 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNQ3 O43525 3/20 0.36
KCNQ2 O43526 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL6311528 0.88 CHRNA7 (0.46) CHRNA7EZH2ALDH1A1NPC1RAB9A
SCHEMBL6303374 0.85 CHRNA7 (0.56) CHRNA7EZH2ALDH1A1NPC1RAB9A
SCHEMBL6310723 0.84 CHRNA7 (0.46) CHRNA7EZH2
SCHEMBL6306317 0.83 CHRNA7 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6305855 0.83 HPGD (0.46) CHRNA7EZH2ALDH1A1L3MBTL1
SCHEMBL6311196 0.83 CHRNA7 (0.46) CHRNA7EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL6306561 0.83 CHRNA7 (0.46) CHRNA7EZH2
SCHEMBL6303016 0.83 KCNQ3 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6310161 0.83 CHRNA7 (0.44) CHRNA7EZH2NPC1RAB9AL3MBTL1
SCHEMBL6303291 0.81 CHRNA7 (0.42) CHRNA7EZH2ALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for 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 (1 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNB2 3625/4885CHRNB4 3743/4885CHRNA3 4068/4885

“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.