SCHEMBL6310508

SCHEMBL6310508

O=C(NC1CC2CC1CN2)c1ccc(Oc2ccnc(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
PPARG P37231 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
EZH2 Q15910 3/20 0.37
ADAM17 P78536 2/20 0.37
NAAA Q02083 1/20 0.35
MAPK14 Q16539 3/20 0.35
CYP3A4 P08684 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL6303016 0.86 KCNQ3 (0.48) MMP2MMP9KCNQ3KCNQ2KCNE1
SCHEMBL6310134 0.85 LOXL2 (0.41) PPARGMMP2MMP9KCNQ3KCNQ2
SCHEMBL6304573 0.85 MMP2 (0.47) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6310487 0.84 GRM5 (0.43) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6311929 0.82 MMP2 (0.55) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6310596 0.82 CHRNB2 (0.41) MMP2MMP9KCNQ3KCNQ2KCNE1
SCHEMBL6303691 0.82 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2PPARGMMP2
SCHEMBL7117240 0.82 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2MMP2MMP9
SCHEMBL6309581 0.82 L3MBTL1 (0.42) PPARGMMP2MMP9MMP7MMP13
SCHEMBL6305631 0.82 EZH2 (0.41) MMP2MMP9KCNQ3KCNQ2KCNE1

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 TAS1R3 3558/4885TAS1R1 1839/4885TAS1R2 3229/4885

“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.