SCHEMBL4352009

SCHEMBL4352009

OCCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 0.74
SLC6A4 P31645 6/20 0.74
HTR2A P28223 1/20 0.67
TRPM8 Q7Z2W7 1/20 0.67
HTR1A P08908 2/20 0.65
KMT2A Q03164 1/20 0.65
GPR84 Q9NQS5 1/20 0.65

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
SCHEMBL5203031 0.95 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL3702252 0.90 MPO (0.67) MPOSLC6A4
SCHEMBL517983 0.90 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL29571866 0.90 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL4463073 0.89 MPO (0.68) MPOSLC6A4HTR2ATRPM8
SCHEMBL5636918 0.87 HTR2A (0.67) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL4636661 0.84 MPO (0.72) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL3702815 0.84 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL5583919 0.84 MPO (0.72) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL27743616 0.84 MPO (0.72) 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511174-B Indolylalkyl piperazine compound and application thereof 复旦大学 2023-03-28 CN disclosed
EP-3027607-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-08-26 EP disclosed
CN-110511174-A A kind of indolyl piperazine compounds and its application UNIV FUDAN 2019-11-29 CN 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
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
WO-2009137733-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-1995035293-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1995-12-28 WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP disclosed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
CN-1085556-A The 4-pyrimidyl and the pyridinyl derivatives of the indol-3-yl alkylpiperazine of anti-migraine BRISTOL MYERS SQUIBB CO (US) 1994-04-20 CN disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 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 (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-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION HTR5A, TPH2, IDO2 MPO 592/4885SLC6A4 104/4885HTR2A 4/4885
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HTR3B, HTR3A, HTR2C MPO 3540/4885SLC6A4 19/4885HTR2A 5/4885

“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.