SCHEMBL794173

SCHEMBL794173

O=C(NCCc1c[nH]c2ccc(O)cc12)c1cc(O)c(O)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.70
PTGS1 P23219 4/20 0.69
TRPV1 Q8NER1 4/20 0.69
PTGS2 P35354 3/20 0.69
SPR P35270 4/20 0.67
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
MAPT P10636 1/20 0.67
IDO1 P14902 1/20 0.67
HPGD P15428 1/20 0.67
BLM P54132 1/20 0.67
NOTUM Q6P988 1/20 0.67
ACHE P22303 1/20 0.61
LMNA P02545 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 2/20 0.59

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
SCHEMBL10071693 0.90 TYR (0.81) TYRPTGS1TRPV1PTGS2SPR
SCHEMBL10071699 0.89 PTGS1 (0.68) TYRPTGS1TRPV1PTGS2SPR
SCHEMBL15150099 0.88 MTNR1A (0.68) TYRPTGS1PTGS2MAPTMEN1
SCHEMBL797879 0.88 MEN1 (0.76) PTGS1TRPV1PTGS2ALDH1A1MEN1
SCHEMBL5342883 0.86 ACHE (0.75) TYRPTGS1TRPV1PTGS2SPR
SCHEMBL31277254 0.86 ACHE (0.75) TYRPTGS1TRPV1PTGS2SPR
SCHEMBL798092 0.85 KMT2A (0.80) TRPV1KDM4EALDH1A1CYP2D6CYP1A2
SCHEMBL25217961 0.84 TRPV1 (0.67) TYRPTGS1TRPV1PTGS2SPR
SCHEMBL20182262 0.84 TRPV1 (0.73) TYRPTGS1TRPV1PTGS2SPR
SCHEMBL803841 0.84 PTGS1 (0.84) TYRPTGS1TRPV1PTGS2SPR

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 16 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 claimed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US claimed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US claimed
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
EP-2616439-B1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL SCIENT IND RES (IN) 2015-12-16 EP disclosed
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-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
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 TYR 272/4885PTGS1 122/4885TRPV1 253/4885

“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.