SCHEMBL4351898

SCHEMBL4351898

CCC(O)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.51
SLC6A4 P31645 10/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 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
SCHEMBL15942594 0.88 SLC6A4 (0.47) GUSBSLC6A4MEN1KMT2A
SCHEMBL15221665 0.83 SLC6A4 (0.45) GUSBSLC6A4SLC6A2SLC6A3MGAM
SCHEMBL15205192 0.82 SLC6A4 (0.44) GUSBSLC6A4SLC6A2SLC6A3MGAM
SCHEMBL20078269 0.80 GUSB (0.50) GUSBSLC6A4SLC6A2SLC6A3MGAM
SCHEMBL16801518 0.80 MEN1 (0.48) GUSBSLC6A4MEN1KMT2A
SCHEMBL28914915 0.78 GUSB (0.46) GUSBSLC6A4SLC6A2SLC6A3MGAM
SCHEMBL3441196 0.78 MEN1 (0.46) GUSBSLC6A4MEN1KMT2ASLC6A2
SCHEMBL17242222 0.78 HTR2A (0.54) SLC6A4
SCHEMBL17242126 0.78 HTR2A (0.54) GUSBSLC6A4
SCHEMBL4627913 0.76 MGAM (0.48) GUSBSLC6A4MEN1KMT2AMGAM

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 GUSB 3065/4885SLC6A4 104/4885MEN1 4602/4885

“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.