SCHEMBL798221

SCHEMBL798221

O=C(NCCc1c[nH]c2ccc(O)cc12)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.64
TRPV1 Q8NER1 6/20 0.59
PTGS1 P23219 3/20 0.59
PTGS2 P35354 2/20 0.59
ABCG2 Q9UNQ0 2/20 0.55
SNCA P37840 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
SPR P35270 1/20 0.54
BLM P54132 1/20 0.54
NOTUM Q6P988 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TYR P14679 1/20 0.54

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
SCHEMBL798212 0.91 MEN1 (0.65) ACHETRPV1PTGS1ABCG2
SCHEMBL797771 0.89 TRPV1 (0.68) ACHETRPV1PTGS1PTGS2ABCG2
SCHEMBL31277254 0.83 ACHE (0.75) ACHETRPV1PTGS1PTGS2SNCA
SCHEMBL5342883 0.83 ACHE (0.75) ACHETRPV1PTGS1PTGS2SNCA
SCHEMBL15151730 0.83 TRPV1 (0.60) ACHETRPV1PTGS1PTGS2ABCG2
SCHEMBL10071693 0.80 TYR (0.81) ACHETRPV1PTGS1PTGS2KDM4E
SCHEMBL8802846 0.79 TRPM8 (0.68) ACHETRPV1PTGS1PTGS2TRPM8
SCHEMBL794173 0.78 TYR (0.70) ACHETRPV1PTGS1PTGS2KDM4E
SCHEMBL7019674 0.77 ACHE (0.66) ACHETRPV1PTGS1PTGS2SNCA
Methylene Chloride SCHEMBL29157543 0.77 TRPM8 (0.64) ACHETRPV1PTGS1PTGS2TRPM8

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 7 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
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 ACHE 1333/4885TRPV1 253/4885PTGS1 122/4885

“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.