SCHEMBL4351609

SCHEMBL4351609

COC(=O)C(Cc1c[nH]c2ccc(C#N)cc12)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.50
NR3C1 P04150 1/20 0.50
NR3C2 P08235 1/20 0.50
GUSB P08236 2/20 0.43
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
SNCA P37840 1/20 0.43
HTR1A P08908 1/20 0.42

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 SCHEMBL28307269 0.87 SLC6A4 (0.49) SLC6A4NR3C1NR3C2MEN1KMT2A
Hydrochloric Acid SCHEMBL28307271 0.87 SLC6A4 (0.49) SLC6A4NR3C1NR3C2MEN1KMT2A
SCHEMBL24328894 0.83 SLC6A4 (0.50) SLC6A4NR3C1NR3C2GUSBKMT2A
SCHEMBL4478874 0.81 SLC6A4 (0.53) SLC6A4NR3C1NR3C2SNCAHTR1A
SCHEMBL31725739 0.81 CTSL (0.58) NR3C1NR3C2MEN1HCRTR1KMT2A
SCHEMBL4347796 0.79 SLC6A4 (0.57) SLC6A4SNCAHTR1A
Hydrochloric Acid SCHEMBL28562385 0.79 NR3C1 (0.48) SLC6A4NR3C1NR3C2KMT2AHTR1A
SCHEMBL24328924 0.79 SMN1; SMN2 (0.60) SLC6A4NR3C1NR3C2KMT2ASNCA
SCHEMBL30885590 0.78 SLC6A4 (0.68) SLC6A4NR3C1NR3C2MEN1KMT2A
SCHEMBL28307268 0.78 SLC6A4 (0.68) SLC6A4NR3C1NR3C2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION HTR5A, TPH2, IDO2 SLC6A4 104/4885NR3C1 2280/4885NR3C2 1135/4885

“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.