SCHEMBL4542915

SCHEMBL4542915

COc1cccc(N(C(=O)C=Cc2ccc(Cl)cc2)c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.70
TRPV1 Q8NER1 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MAOB P27338 4/20 0.50
ABCG2 Q9UNQ0 3/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAOA P21397 1/20 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
SCHEMBL4542914 1.00 TRPM8 (0.70) TRPM8TRPV1HDAC6MEN1ALDH1A1
SCHEMBL21637259 0.85 MEN1 (0.58) TRPM8TRPV1HDAC6MEN1ALDH1A1
SCHEMBL10270950 0.83 TRPM8 (1.00) TRPM8HDAC6MEN1ALDH1A1CYP3A4
SCHEMBL30532218 0.83 TRPM8 (1.00) TRPM8HDAC6MEN1ALDH1A1CYP3A4
SCHEMBL6295716 0.78 HSD17B2 (0.49) MEN1TSHRMAPK1KMT2A
SCHEMBL1119679 0.75 MEN1 (0.51) TRPM8MEN1TSHRKMT2ALMNA
SCHEMBL30532219 0.74 TRPM8 (1.00) TRPM8HDAC6ALDH1A1MAPTCYP2C9
SCHEMBL10271031 0.74 TRPM8 (1.00) TRPM8HDAC6ALDH1A1MAPTCYP2C9
SCHEMBL10271036 0.73 TRPM8 (1.00) TRPM8ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL7985806 0.73 MEN1 (0.65) MEN1TP53TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 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 (2 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 TRPM8 112/4885TRPV1 1/4885HDAC6 265/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 TRPM8 112/4885TRPV1 1/4885HDAC6 265/4885

“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.