SCHEMBL4358526

SCHEMBL4358526

CN(C)Cc1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.71
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL15678339 0.88 SLC6A4 (0.56) SLC6A4KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL1122134 0.85 SLC6A4 (0.85) SLC6A4CYP2D6
SCHEMBL13226846 0.83 SLC6A4 (0.63) SLC6A4MEN1KMT2ASLC6A3DRD2
SCHEMBL29005985 0.82 SLC6A4 (0.62) SLC6A4DRD2DRD4DRD3
SCHEMBL12881233 0.80 SLC6A4 (0.68) SLC6A4MEN1KMT2ASLC6A3DRD2
SCHEMBL1399199 0.80 SLC6A4 (0.62) SLC6A4KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL24688682 0.80 SLC6A4 (0.59) SLC6A4DRD2DRD4DRD3
SCHEMBL29985571 0.80 SLC6A4 (0.59) SLC6A4DRD2DRD4DRD3
SCHEMBL24328228 0.80 SLC6A4 (0.59) SLC6A4DRD2DRD4DRD3
SCHEMBL24243716 0.79 SLC6A4 (0.70) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945397-B2 Methods of inhibiting cyanobacteria growth by administering gramine derivatives CYANOTROL, LLC (US) 2015-02-03 US disclosed
US-8945397-B2 Methods of inhibiting cyanobacteria growth by administering gramine derivatives CYANOTROL, LLC (US) 2015-02-03 US disclosed
US-20140110350-A1 METHODS OF INHIBITING CYANOBACTERIA GROWTH BY ADMINISTERING GRAMINE DERIVATIVES SAN FRANCISCO STATE UNIVERSITY (US) 2014-04-24 US disclosed
US-20140110350-A1 METHODS OF INHIBITING CYANOBACTERIA GROWTH BY ADMINISTERING GRAMINE DERIVATIVES SAN FRANCISCO STATE UNIVERSITY (US) 2014-04-24 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-2007075931-A2 REACTIVE HETEROCYCLIC DERIVATIVES AND METHODS FOR THEIR SYNTHESIS AND USE BIOSITE INCORPORATED (US) 2007-07-05 WO disclosed
EP-1222167-A2 METHOD FOR PRODUCING INDOLE DERIVATIVES ON A SOLID PHASE MERCK PATENT GmbH (DE) 2002-07-17 EP disclosed
WO-2001023353-A2 METHOD FOR PRODUCING INDOLE DERIVATIVES ON A SOLID PHASE MERCK PATENT GMBH (DE) 2001-04-05 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

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 104/4885KDM4E 1638/4885MEN1 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.