SCHEMBL15054853

SCHEMBL15054853

O=C(O)NC1(C(=O)Nc2ccccc2)CCNC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
HDAC1 Q13547 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TRPV1 Q8NER1 7/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL15646328 0.82 FAAH (0.50) FAAHCYP1A2CYP2D6HDAC1TRPV1
SCHEMBL782996 0.80 CYP1A2 (0.51) FAAHCYP1A2CYP2D6HDAC1TRPV1
SCHEMBL10499852 0.79 CYP1A2 (0.54) FAAHCYP1A2CYP2D6HDAC1HSD17B10
SCHEMBL15073551 0.72 RPS6KB1 (0.50) FAAHCYP1A2CYP2D6HDAC1HSD17B10
SCHEMBL20224882 0.72 CYP1A2 (0.52) FAAHCYP1A2CYP2D6HDAC1HSD17B10
SCHEMBL28045022 0.71 KDM4E (0.53) KMT2A
SCHEMBL17188052 0.70 HTR2A (0.50) CYP1A2CYP2D6HDAC1HSD17B10POLB
SCHEMBL15055228 0.70 RPS6KB1 (0.48) FAAHCYP1A2CYP2D6HDAC1HSD17B10
SCHEMBL3913062 0.70 DRD2 (0.41) LMNAKMT2AALDH1A1
SCHEMBL22110225 0.69 FAAH (0.50) FAAHCYP1A2HSD17B10TRPV1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 EP disclosed
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 FAAH 684/4885CYP1A2 2527/4885CYP2D6 3304/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 FAAH 1182/4885CYP1A2 2178/4885CYP2D6 3122/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 FAAH 828/4885CYP1A2 2894/4885CYP2D6 3674/4885

“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.