SCHEMBL4351901

SCHEMBL4351901

N#Cc1ccc2[nH]cc(CCCO)c2c1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.69
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.51
MPO P05164 1/20 0.51

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
SCHEMBL29441818 0.96 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL3103671 0.96 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL8136598 0.91 SLC6A4 (0.64) SLC6A4HTR2C
SCHEMBL5234124 0.85 SLC6A4 (0.69) SLC6A4HTR1AMPO
SCHEMBL5791054 0.85 SLC6A4 (0.69) SLC6A4HTR1AMPO
SCHEMBL3103741 0.85 SLC6A4 (0.73) SLC6A4HTR1A
SCHEMBL30320095 0.85 SLC6A4 (0.69) SLC6A4HTR1AMPO
SCHEMBL6879916 0.85 SLC6A4 (0.69) SLC6A4HTR1AMPO
SCHEMBL8255694 0.85 SLC6A4 (0.69) SLC6A4HTR1AMPO
SCHEMBL30468389 0.85 SLC6A4 (0.69) SLC6A4HTR1AMPO

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 38 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
CN-106279153-B Substituted benzazolyl compounds and its application method and purposes 广东东阳光药业有限公司 2019-08-16 CN disclosed
US-10316025-B2 Substituted piperazine compounds and methods of use and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-06-11 US disclosed
CN-106795143-B Substituted benzazolyl compounds and its application method and purposes 广东东阳光药业有限公司 2019-05-24 CN disclosed
CN-104276993-B Indole derivatives and its application on drug 广东东阳光药业有限公司 2019-03-15 CN disclosed
CN-106243088-B Substituted diethylenediamine compound and its application method and purposes 广东东阳光药业有限公司 2019-01-04 CN disclosed
CN-104337812-B Substituted heteroaryl compound and its application method and purposes 广东东阳光药业有限公司 2018-09-14 CN disclosed
CN-105085482-B Substituted diethylenediamine compound and its application method and purposes 广东东阳光药业有限公司 2018-08-10 CN disclosed
WO-2006061379-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
EP-0644187-B1 Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL MYERS SQUIBB CO (US) 1998-07-01 EP disclosed
US-5521188-A Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-05-28 US disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0645385-A1 Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines Bristol-Myers Squibb Company (US) 1995-03-29 EP disclosed
EP-0644187-A1 Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-22 EP disclosed
US-5382592-A Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10316025-B2 Substituted piperazine compounds and methods of use and use thereof HTR5A, HTR2C, TPH1 SLC6A4 14/4885HTR1A 8/4885HTR2C 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.