SCHEMBL6683671

SCHEMBL6683671

CC(NC(=O)OCc1ccccc1)c1cccc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
SYK P43405 1/20 0.44
KCNA5 P22460 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.40
CTSL P07711 1/20 0.40
CAPN1 P07384 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.40
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL6858045 1.00 CYP1A2 (0.46) CYP1A2SYKKCNA5ATMCYP3A4
SCHEMBL6858042 1.00 CYP1A2 (0.46) CYP1A2SYKKCNA5ATMCYP3A4
SCHEMBL6683666 0.84 CYP3A4 (0.41) CYP1A2SYKATMCYP3A4KCNQ3
SCHEMBL6648879 0.83 KCNA5 (0.43) KCNA5PPARA
SCHEMBL6648883 0.83 KCNA5 (0.43) KCNA5PPARA
SCHEMBL6687956 0.82 KCNQ3 (0.43) CYP1A2KCNA5CYP3A4KCNQ3KCNQ2
SCHEMBL6687952 0.82 KCNQ3 (0.43) CYP1A2KCNA5CYP3A4KCNQ3KCNQ2
SCHEMBL6851477 0.82 KCNQ3 (0.43) CYP1A2KCNA5CYP3A4KCNQ3KCNQ2
SCHEMBL6649229 0.79 KCNQ2 (0.49) CYP1A2KCNA5CYP3A4KCNQ3KCNQ2
SCHEMBL6649232 0.79 KCNQ2 (0.49) CYP1A2KCNA5CYP3A4KCNQ3KCNQ2

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-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO 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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 CYP1A2 1264/4885SYK 2782/4885KCNA5 21/4885

“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.