SCHEMBL2764387

SCHEMBL2764387

CNC(=O)CCC/C=C/c1cccc(C(=O)NC(C)CO)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
KCNK3 O14649 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2632355 1.00 CNR2 (0.43) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL17049670 1.00 CNR2 (0.43) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL17049671 1.00 CNR2 (0.43) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL2764390 1.00 CNR2 (0.43) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL14945499 0.93 ATM (0.40) ALDH1A1
SCHEMBL14945497 0.89 ATM (0.40) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL2763606 0.89 MAP4K4 (0.41) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL2763604 0.89 MAP4K4 (0.41) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL2623659 0.89 MAP4K4 (0.41) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL2623660 0.87 HPGD (0.42) CNR2KCNK3ALDH1A1THRBBLM

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-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CNR2 16/4885KCNK3 720/4885ALDH1A1 3425/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 CNR2 26/4885KCNK3 510/4885ALDH1A1 4349/4885
US-20130123356-A1 MODULATOR MRGPRX2, NR3C2, MC2R CNR2 82/4885KCNK3 1574/4885ALDH1A1 1637/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 CNR2 16/4885KCNK3 720/4885ALDH1A1 3425/4885

“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.