SCHEMBL4362253

SCHEMBL4362253

CN(C)Cc1c[nH]c2ccc(N(Cc3ccccc3)C(=O)O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
CDK4 P11802 1/20 0.48
ACHE P22303 3/20 0.46
HTR6 P50406 2/20 0.46
SLC6A4 P31645 2/20 0.45
HTR1D P28221 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TACR1 P25103 1/20 0.43
SNCA P37840 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
SCHEMBL11487361 0.77 CYP2D6 (0.60) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL7328416 0.73 KDM4E (0.64) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL5648586 0.72 HTR1D (0.78) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL14464227 0.72 TRPM8 (0.51) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL4354646 0.72 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL9582186 0.72 KDM4E (0.57) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL11358148 0.71 HTR1A (0.66) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL4362240 0.71 SLC6A2 (0.55) SLC6A4MAPT
Gramine SCHEMBL29351803 0.70 ALDH1A1 (1.00) KMT2AMEN1KDM4EALDH1A1CYP3A4
Gramine SCHEMBL63578 0.70 ALDH1A1 (1.00) KMT2AMEN1KDM4EALDH1A1CYP3A4

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 KMT2A 1363/4885MEN1 4602/4885KDM4E 1638/4885

“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.