SCHEMBL4354646

SCHEMBL4354646

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR6 P50406 2/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
CYP1A2 P05177 1/20 0.49
NQO2 P16083 1/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HTR1D P28221 3/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 1/20 0.44

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 SCHEMBL10430004 0.87 KMT2A (0.48) KMT2AALDH1A1TSHRKDM4EMEN1
SCHEMBL6153313 0.80 HTR7 (0.64) KMT2ATSHRMEN1CYP3A4CYP2D6
SCHEMBL1032108 0.79 CYP1A2 (0.64) ALDH1A1KDM4ECYP2D6HSD17B10HTR6
SCHEMBL10553159 0.78 CSNK2A1 (0.56) KMT2AALDH1A1TSHRKDM4EMEN1
SCHEMBL26632844 0.76 KMT2A (0.68) KMT2AALDH1A1TSHRKDM4EMEN1
SCHEMBL26632845 0.76 KMT2A (0.68) KMT2AALDH1A1TSHRKDM4EMEN1
SCHEMBL11493839 0.76 CYP2D6 (0.62) KMT2AALDH1A1TSHRKDM4EMEN1
SCHEMBL31415109 0.76 CYP2D6 (0.62) KMT2AALDH1A1TSHRKDM4EMEN1
SCHEMBL2992516 0.76 GPR84 (0.67) KMT2AALDH1A1TSHRKDM4EMEN1
SCHEMBL10576242 0.75 HTR1A (0.60) KMT2ACYP2D6HTR6MTNR1AMTNR1B

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 1363/4885ALDH1A1 56/4885TSHR 2309/4885

“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.