SCHEMBL2763606

SCHEMBL2763606

CC(CO)NC(=O)c1cccc(C=CCCCC(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
ATM Q13315 1/20 0.40
KCNK3 O14649 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CNR2 P34972 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 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
SCHEMBL2623659 1.00 MAP4K4 (0.41) MAP4K4ATMKCNK3ALDH1A1THRB
SCHEMBL2763604 1.00 MAP4K4 (0.41) MAP4K4ATMKCNK3ALDH1A1THRB
SCHEMBL14945497 0.91 ATM (0.40) MAP4K4ATMKCNK3ALDH1A1THRB
SCHEMBL13376358 0.90 MAP4K4 (0.41) MAP4K4ATMALDH1A1HPGD
SCHEMBL2764387 0.89 CNR2 (0.43) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL2763383 0.89 HPGD (0.42) ATMKCNK3ALDH1A1THRBCNR2
SCHEMBL2764390 0.89 CNR2 (0.43) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL2632355 0.89 CNR2 (0.43) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL17049671 0.89 CNR2 (0.43) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL17049670 0.89 CNR2 (0.43) KCNK3ALDH1A1THRBCNR2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed
EP-1745011-A2 MODULATORS OF CANNABINOID RECEPTORS UCL Biomedica plc (GB) 2007-01-24 EP disclosed
WO-2005080316-A2 MODULATORS OF CANNABINOID RECEPTORS UCL BIOMEDICA PLC. (GB) 2005-09-01 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 (3 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 MAP4K4 3878/4885ATM 4322/4885KCNK3 720/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 MAP4K4 2904/4885ATM 4443/4885KCNK3 510/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 MAP4K4 3878/4885ATM 4322/4885KCNK3 720/4885

“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.