SCHEMBL13616719

SCHEMBL13616719

OC1CCCc2c(Br)cccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
UGT2B17 O75795 2/20 0.43
GID4 Q8IVV7 1/20 0.42
BRD3 Q15059 1/20 0.39
GRM5 P41594 3/20 0.37
ACHE P22303 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
POLL Q9UGP5 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL13974016 1.00 KMT2A (0.44) KMT2AUGT2B17GID4BRD3GRM5
SCHEMBL17180996 1.00 KMT2A (0.44) KMT2AUGT2B17GID4BRD3GRM5
SCHEMBL30004585 0.95 GID4 (0.41) KMT2AUGT2B17GID4BRD3GRM5
SCHEMBL29325486 0.95 GID4 (0.41) KMT2AUGT2B17GID4BRD3GRM5
SCHEMBL29325214 0.95 GID4 (0.41) KMT2AUGT2B17GID4BRD3GRM5
SCHEMBL7919900 0.95 GID4 (0.41) KMT2AUGT2B17GID4BRD3GRM5
SCHEMBL1508638 0.89 GID4 (0.45) KMT2AGID4DRD2DRD1DRD4
SCHEMBL1868958 0.89 GID4 (0.45) KMT2AGID4DRD2DRD1DRD4
SCHEMBL29581023 0.89 GID4 (0.45) KMT2AGID4DRD2DRD1DRD4
SCHEMBL29625410 0.89 GID4 (0.45) KMT2AGID4DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024240240-A1 IMIDAZOLE DERIVATIVES, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-11-28 WO disclosed
US-20230348358-A1 Serotonin Receptor Modulators UNITED STATES GOVERNMENT 2023-11-02 US disclosed
US-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-07-02 US disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 US disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 US disclosed
US-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery NORTHEASTERN UNIVERSITY 2018-05-10 US disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
EP-2706999-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS Receptos, Inc. (US) 2014-03-19 EP disclosed
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 WO disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 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 (7 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-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES ADH1A, ADH1C, ADH5 KMT2A 663/4885UGT2B17 2829/4885GID4 737/4885
US-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery HTR5A, HTR3A, HTR1A KMT2A 3180/4885UGT2B17 1965/4885GID4 601/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX KMT2A 2325/4885UGT2B17 615/4885GID4 727/4885
US-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines ADH1A, ADH1C, ADH5 KMT2A 663/4885UGT2B17 2829/4885GID4 737/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX KMT2A 2325/4885UGT2B17 615/4885GID4 727/4885
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods HTR1A, HTR2C, HTR7 KMT2A 1801/4885UGT2B17 1536/4885GID4 1751/4885
US-20230348358-A1 Serotonin Receptor Modulators HTR7, HTR1A, HTR5A KMT2A 878/4885UGT2B17 581/4885GID4 2401/4885

“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.