SCHEMBL6673601

SCHEMBL6673601

C[C@H](NC(=O)OCc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 3/20 0.53
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
AAK1 Q2M2I8 2/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 1/20 0.48
MMP9 P14780 1/20 0.48
CTSK P43235 2/20 0.48

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
SCHEMBL6858626 1.00 ATM (0.56) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL8530402 0.86 ATM (0.68) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL30460502 0.86 ATM (0.68) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL21469067 0.86 ATM (0.68) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL12951666 0.85 ATM (0.60) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL21399863 0.85 ATM (0.60) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL21404926 0.85 ATM (0.60) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL8241135 0.85 ATM (0.56) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL8240521 0.85 ATM (0.56) ATMALDH1A1CYP3A4TSHRCTSL
SCHEMBL27733208 0.85 ATM (0.56) ATMALDH1A1CYP3A4TSHRCTSL

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 ATM 4336/4885ALDH1A1 2914/4885CYP3A4 543/4885

“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.