SCHEMBL5203031

SCHEMBL5203031

OCCCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 0.73
SLC6A4 P31645 6/20 0.72
HTR2A P28223 1/20 0.65
TRPM8 Q7Z2W7 1/20 0.65
HTR1A P08908 2/20 0.63
KMT2A Q03164 1/20 0.63
GPR84 Q9NQS5 1/20 0.63

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
SCHEMBL4352009 0.95 MPO (0.74) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL517983 0.89 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL29571866 0.89 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL3702252 0.86 MPO (0.67) MPOSLC6A4
SCHEMBL4463073 0.85 MPO (0.68) MPOSLC6A4HTR2ATRPM8
SCHEMBL5584045 0.84 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7846163 0.84 MPO (0.77) MPOSLC6A4HTR2ATRPM8
SCHEMBL4637101 0.84 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL3705476 0.84 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7819881 0.83 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027607-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-08-26 EP disclosed
US-9598401-B2 Substituted heteroaryl compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-21 US disclosed
EP-3027607-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2016-06-08 EP disclosed
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-24 US disclosed
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 WO disclosed
WO-2015014256-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-02-05 WO disclosed
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-06-21 US disclosed
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-06-21 US disclosed
EP-0998474-B1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-07 EP disclosed
EP-0993458-B1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 2003-04-09 EP disclosed
CN-1093127-C Piperazine derivatives MERCK PATENT GMBH (DE) 2002-10-23 CN disclosed
US-6333339-B1 CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) 2001-12-25 US disclosed
US-6251908-B1 Piperazine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-06-26 US disclosed
CN-1264379-A Piperazine derivatives MERCK PATENT GMBH (DE) 2000-08-23 CN disclosed
CN-1260791-A 3-benzylpiperidine MERCK PATENT GMBH (DE) 2000-07-19 CN disclosed
EP-0998474-A1 PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-05-10 EP disclosed
EP-0993458-A1 3-BENZYLPIPERIDINE MERCK PATENT GmbH (DE) 2000-04-19 EP disclosed
WO-1999003855-A1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-01-28 WO disclosed
WO-1998057953-A1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 1998-12-23 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-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HTR3B, HTR3A, HTR2C MPO 3540/4885SLC6A4 19/4885HTR2A 5/4885
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A MPO 4022/4885SLC6A4 33/4885HTR2A 2/4885

“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.