SCHEMBL798104

SCHEMBL798104

COc1ccc2[nH]cc(CCNC(=O)Cc3c[nH]c4ccccc34)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.72
MTNR1B P49286 6/20 0.72
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
RAB9A P51151 2/20 0.70
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP1A1 P04798 1/20 0.70
MPO P05164 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
HTR1A P08908 1/20 0.70
CYP2D6 P10635 1/20 0.70
HPGD P15428 1/20 0.70
NQO2 P16083 1/20 0.70
HTR2B P41595 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
CYP1B1 Q16678 1/20 0.70
NOTUM Q6P988 1/20 0.70

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
SCHEMBL7501961 0.89 KMT2A (0.81) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL7513866 0.87 KMT2A (0.88) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL11483618 0.86 KMT2A (0.68) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL10069200 0.86 AANAT (0.77) MTNR1AKMT2AMEN1RAB9AALDH1A1
SCHEMBL7018937 0.85 MTNR1A (0.70) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL15150100 0.85 MTNR1A (0.68) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL5612765 0.85 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL29524586 0.85 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL7510316 0.85 MTNR1A (0.66) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL16137407 0.84 MTNR1A (0.81) MTNR1AMTNR1BKMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616439-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY Council of Scientific & Industrial Research (IN) 2013-07-24 EP claimed
WO-2012035406-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-03-22 WO claimed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US 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
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
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 MTNR1A 174/4885MTNR1B 418/4885KMT2A 3725/4885

“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.