SCHEMBL4357142

SCHEMBL4357142

COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.68
HTR7 P34969 4/20 0.68
SLC6A4 P31645 4/20 0.68
KCNH2 Q12809 3/20 0.68
MPO P05164 3/20 0.61
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HTR6 P50406 1/20 0.55

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
Hydrochloric Acid SCHEMBL4347864 0.99 HTR1A (0.70) HTR1AHTR7SLC6A4KCNH2MPO
Hydrochloric Acid SCHEMBL4356376 0.99 HTR1A (0.70) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL6362404 0.95 HTR1A (0.60) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL9373347 0.90 HTR1A (0.69) HTR1A
SCHEMBL4347602 0.89 HTR1A (0.54) HTR1AHTR7SLC6A4KCNH2
SCHEMBL4353460 0.89 HTR1A (0.54) HTR1AHTR7SLC6A4KCNH2
SCHEMBL6354737 0.89 HTR1A (0.66) HTR1AHTR7SLC6A4KCNH2HTR6
SCHEMBL6355732 0.89 HTR1A (0.53) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL9205705 0.87 HTR1A (0.73) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL6355097 0.87 HTR1A (0.62) HTR1AHTR7SLC6A4KCNH2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP claimed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP claimed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP claimed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP claimed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 US claimed
JP-4230378-A None JP 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
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
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-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
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
JP-H04230378-A ALKOXY PYRIMIDINE DERIVATIVES FOR ANTIMIGRAINE BRISTOL MYERS SQUIBB CO 1992-08-19 JP 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

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 15/4885HTR7 18/4885SLC6A4 104/4885
US-20050095286-A1 Extended release compositions PDE3A, GIPR, PDE7A HTR1A 22/4885HTR7 8/4885SLC6A4 167/4885

“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.