SCHEMBL4350474

SCHEMBL4350474

COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(CNS(C)(=O)=O)cc23)CC1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.42
HTR1D P28221 8/20 0.40
HTR1B P28222 7/20 0.40
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL4558261 0.95 HTR1A (0.42) HTR1AHTR1DHTR1BSLC6A4HTR7
SCHEMBL4353972 0.91 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4HTR7
SCHEMBL4352038 0.90 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4HTR7
SCHEMBL6362007 0.89 HTR1D (0.51) HTR1AHTR1DHTR1BSLC6A4HTR7
SCHEMBL6356507 0.89 USP2 (0.43) HTR1AHTR1DSLC6A4HTR7KCNH2
SCHEMBL4352170 0.88 HTR1A (0.47) HTR1AHTR1DSLC6A4HTR7KCNH2
Hydrochloric Acid SCHEMBL9263047 0.88 HTR1D (0.50) HTR1AHTR1DHTR1BSLC6A4HTR7
SCHEMBL4347875 0.85 HTR1A (0.42) HTR1ASLC6A4HTR7KCNH2
Hydrochloric Acid SCHEMBL4344356 0.84 HTR1A (0.41) HTR1ASLC6A4HTR7KCNH2
SCHEMBL4346029 0.83 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US claimed
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
US-20050095286-A1 Extended release compositions FABRE KRAMER PHARMACEUTICALS, INC. (US) 2005-05-05 US disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US 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 (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 HTR1A 15/4885HTR1D 35/4885HTR1B 43/4885
US-20050095286-A1 Extended release compositions PDE3A, GIPR, PDE7A HTR1A 22/4885HTR1D 29/4885HTR1B 38/4885

“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.