SCHEMBL4344348

SCHEMBL4344348

CCS(=O)(=O)N(C)c1ccc2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 3/20 0.44
MAOA P21397 1/20 0.43
PER2 O15055 1/20 0.42
CRY1 Q16526 1/20 0.42
CRY2 Q49AN0 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP2A6 P11509 2/20 0.40
GLI1 P08151 1/20 0.40
GLI2 P10070 1/20 0.40
AHR P35869 3/20 0.40
NR4A2 P43354 2/20 0.40
F7 P08709 1/20 0.40
LTA4H P09960 1/20 0.40
F3 P13726 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7482735 0.84 PER2 (0.46) SLC6A2SLC6A4SLC6A3MAOAPER2
SCHEMBL3335239 0.76 AHR (0.50) SLC6A2SLC6A4SLC6A3MAOACA1
SCHEMBL3836298 0.75 AHR (0.50) SLC6A2SLC6A4SLC6A3MAOACYP2A6
SCHEMBL8533738 0.73 CA12 (0.53) MAOACA12CA1CA2CA9
SCHEMBL31543740 0.73 CA12 (0.49) MAOACA12CA1CA2CA9
SCHEMBL12749605 0.73 CA12 (0.49) MAOACA12CA1CA2CA9
SCHEMBL21765905 0.73 MAPT (0.45) CA12CA1CA2CA9ALOX15
SCHEMBL9717426 0.71 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAOACYP2A6
SCHEMBL15253052 0.71 MAOA (0.51) SLC6A2SLC6A4SLC6A3MAOAGLI1
SCHEMBL3612090 0.71 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAOAPER2

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 6 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
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US 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 (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 SLC6A2 158/4885SLC6A4 104/4885SLC6A3 129/4885

“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.