SCHEMBL797333

SCHEMBL797333

COc1ccc2[nH]cc(CCNCc3c[nH]c4ccccc34)c2c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.78
KMT2A Q03164 1/20 0.73
MC5R P33032 1/20 0.71
MC3R P41968 1/20 0.71
MC1R Q01726 1/20 0.71
GPR84 Q9NQS5 1/20 0.68
HTR1A P08908 2/20 0.64
HTR7 P34969 2/20 0.64
HTR6 P50406 2/20 0.64
DRD2 P14416 1/20 0.63
GAA P10253 1/20 0.63

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
SCHEMBL22612477 0.88 HTR2A (0.75) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL948317 0.88 HTR2A (1.00) HTR2AKMT2A
SCHEMBL23745542 0.85 HTR2A (0.77) HTR2AKMT2AMC5RMC3RMC1R
SCHEMBL31113939 0.84 KMT2A (1.00) HTR2AKMT2AMC5RMC3RMC1R
SCHEMBL25169575 0.84 KMT2A (1.00) HTR2AKMT2AMC5RMC3RMC1R
SCHEMBL798249 0.84 MC1R (1.00) HTR2AKMT2AMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL23721903 0.84 HTR2A (0.76) HTR2AKMT2AMC5RMC3RMC1R
SCHEMBL24451304 0.83 HTR2A (1.00) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL30183412 0.83 HTR2A (1.00) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL798104 0.83 MTNR1A (0.72) KMT2AHTR1A

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
EP-2616439-B1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL SCIENT IND RES (IN) 2015-12-16 EP disclosed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US disclosed
EP-2616439-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY Council of Scientific & Industrial Research (IN) 2013-07-24 EP disclosed
WO-2012035406-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-03-22 WO 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-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY HTRA2, AIFM1, SI HTR2A 88/4885KMT2A 3725/4885MC5R 1311/4885

“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.