SCHEMBL2763063

SCHEMBL2763063

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP4K4 O95819 1/20 0.39
CTSL P07711 3/20 0.39
HPGD P15428 1/20 0.39
CTSB P07858 2/20 0.38
CTSV O60911 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL17049468 1.00 CNR1 (0.42) CNR1CNR2ATMALDH1A1LMNA
SCHEMBL17049465 1.00 CNR1 (0.42) CNR1CNR2ATMALDH1A1LMNA
SCHEMBL2623657 1.00 CNR1 (0.42) CNR1CNR2ATMALDH1A1LMNA
SCHEMBL2763061 1.00 CNR1 (0.42) CNR1CNR2ATMALDH1A1LMNA
SCHEMBL17049473 0.91 MAOB (0.40) CNR1CNR2ATMALDH1A1LMNA
SCHEMBL13376358 0.87 MAP4K4 (0.41) ATMALDH1A1LMNASMN1; SMN2MAP4K4
SCHEMBL20810492 0.87 HPGD (0.42) ATMALDH1A1LMNASMN1; SMN2MAP4K4
SCHEMBL2764163 0.87 CNR2 (0.48) CNR1CNR2ATMALDH1A1LMNA
SCHEMBL13302517 0.87 CNR2 (0.48) CNR1CNR2ATMALDH1A1LMNA
SCHEMBL2764166 0.87 CNR2 (0.48) CNR1CNR2ATMALDH1A1LMNA

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 9 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
EP-1745011-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2009-09-30 EP 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 CNR1 7/4885CNR2 16/4885ATM 4322/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 CNR1 25/4885CNR2 26/4885ATM 4443/4885
US-20130123356-A1 MODULATOR MRGPRX2, NR3C2, MC2R CNR1 90/4885CNR2 82/4885ATM 4751/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 CNR1 7/4885CNR2 16/4885ATM 4322/4885

“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.