SCHEMBL797771

SCHEMBL797771

COc1ccc2[nH]cc(CCNC(=O)c3cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.68
ACHE P22303 3/20 0.67
ABCG2 Q9UNQ0 2/20 0.67
KMT2A Q03164 3/20 0.66
POLB P06746 1/20 0.66
TRPM8 Q7Z2W7 1/20 0.61
MEN1 O00255 2/20 0.60
FAAH O00519 1/20 0.60
MAPT P10636 1/20 0.60
LTA4H P09960 1/20 0.60
PLA2G2A P14555 1/20 0.60
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
MTNR1A P48039 1/20 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
SCHEMBL798221 0.89 ACHE (0.64) TRPV1ACHEABCG2TRPM8MAPT
SCHEMBL798212 0.88 MEN1 (0.65) TRPV1ACHEABCG2KMT2APOLB
SCHEMBL12503790 0.87 ABCG2 (0.71) TRPV1ACHEABCG2KMT2APOLB
SCHEMBL6919747 0.85 TRPV1 (0.88) TRPV1ACHEKMT2APOLBMEN1
SCHEMBL8802625 0.81 FAAH (0.76) TRPV1ACHEKMT2APOLBTRPM8
SCHEMBL9936354 0.81 TRPV1 (1.00) TRPV1ACHEKMT2APOLBMEN1
SCHEMBL7501961 0.79 KMT2A (0.81) TRPV1ACHEKMT2APOLBMEN1
SCHEMBL6923780 0.79 MTNR1A (0.82) KMT2APOLBTRPM8MEN1MAPT
SCHEMBL798092 0.79 KMT2A (0.80) TRPV1KMT2APOLBMEN1MTNR1A
SCHEMBL7023429 0.79 TRPV1 (0.77) TRPV1ACHEKMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TRPV1 253/4885ACHE 1333/4885ABCG2 2093/4885

“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.