SCHEMBL1920984

SCHEMBL1920984

O=C(O)NC1CCN(CCO)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.44
HTR7 P34969 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
LTA4H P09960 2/20 0.40
KDM1A O60341 1/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 3/20 0.39
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC18A3 Q16572 1/20 0.38
HTR1A P08908 1/20 0.37
HTR6 P50406 1/20 0.37
HTR4 Q13639 2/20 0.36
CACNA1H O95180 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL22654835 0.90 KMT2A (0.43) MC4RSIGMAR1PKMKMT2ACACNA1H
SCHEMBL1920273 0.90 HRH2 (0.40) MC4RHTR7SIGMAR1LTA4HDRD2
SCHEMBL16993049 0.90 KMT2A (0.43) MC4RSIGMAR1PKMKMT2ACACNA1H
SCHEMBL1921058 0.89 KMT2A (0.47) SIGMAR1KDM1APKMKMT2ASLC18A3
SCHEMBL26836340 0.84 LTA4H (0.50) MC4RHTR7LTA4HHTR4CACNA1H
SCHEMBL27905538 0.84 SIGMAR1 (0.39) HTR7SIGMAR1LTA4HDRD2DRD4
SCHEMBL27924847 0.84 SIGMAR1 (0.39) HTR7SIGMAR1LTA4HDRD2DRD4
SCHEMBL3821802 0.81 EPHX1 (0.49) HTR7LTA4HDRD2DRD4KMT2A
SCHEMBL28806043 0.81 DRD2 (0.38) HTR7SIGMAR1LTA4HDRD2DRD4
SCHEMBL28249224 0.81 LTA4H (0.40) HTR7SIGMAR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 US disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 US disclosed
US-9045479-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-02 US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
EP-2791139-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr. Reddy's Laboratories Ltd. (IN) 2014-10-22 EP disclosed
WO-2013088257-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 WO disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
EP-2326327-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI International (US) 2011-06-01 EP disclosed
WO-2010033198-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI INTERNATIONAL (US) 2010-03-25 WO disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 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 (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-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 MC4R 2198/4885HTR7 764/4885SIGMAR1 2000/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 MC4R 1216/4885HTR7 297/4885SIGMAR1 1826/4885
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 MC4R 2198/4885HTR7 764/4885SIGMAR1 2000/4885

“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.