SCHEMBL6310596

SCHEMBL6310596

O=C(NC1CC2CC1CN2)c1ccc(Oc2cncc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
NAAA Q02083 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
CYP3A4 P08684 1/20 0.37
MAPK14 Q16539 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 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
SCHEMBL6304573 0.87 MMP2 (0.47) MMP2MMP9MMP7MMP13CYP3A4
SCHEMBL6310487 0.86 GRM5 (0.43) NAAAMMP2MMP9MMP7MMP13
SCHEMBL6303016 0.84 KCNQ3 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4NAAA
SCHEMBL6311929 0.82 MMP2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL6311287 0.82 NAAA (0.37) CHRNB2CHRNB4CHRNA3CHRNA4NAAA
SCHEMBL6303505 0.82 MAPK14 (0.45) CHRNB2CHRNA4NAAAMMP2MMP9
SCHEMBL6303431 0.82 NPC1 (0.43) MMP2MMP9MEN1NPC1CASP3
SCHEMBL7124913 0.82 MMP2 (0.39) NAAAMMP2MMP9MMP7MMP13
SCHEMBL6310508 0.82 TAS1R3 (0.40) NAAAMMP2MMP9MMP7MMP13
SCHEMBL6305808 0.81 MMP2 (0.45) NAAAMMP2MMP9MMP7MMP13

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.