SCHEMBL807557

SCHEMBL807557

O=C(Cc1c[nH]c2ccccc12)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.70
PTGS1 P23219 2/20 0.68
PTGS2 P35354 1/20 0.68
SPR P35270 3/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
IDO1 P14902 1/20 0.66
HPGD P15428 1/20 0.66
BLM P54132 1/20 0.66
NOTUM Q6P988 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HSD17B2 P37059 1/20 0.64
AANAT Q16613 1/20 0.64
GFER P55789 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL10069200 0.90 AANAT (0.77) ALDH1A1CYP1A2BLMHSD17B2AANAT
SCHEMBL15150100 0.87 MTNR1A (0.68) PTGS1PTGS2ALDH1A1CYP1A2MAPT
SCHEMBL798104 0.84 MTNR1A (0.72) TRPV1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7023934 0.84 LMNA (0.64) TRPV1PTGS1PTGS2SPRKDM4E
SCHEMBL25137286 0.84 TRPV1 (0.76) TRPV1PTGS1PTGS2SPRKDM4E
SCHEMBL2271234 0.84 SPR (0.74) TRPV1PTGS1PTGS2SPRKDM4E
SCHEMBL7976825 0.83 SMN1; SMN2 (0.71) KDM4EALDH1A1CYP1A2MAPTHPGD
SCHEMBL13996187 0.83 SPR (0.73) TRPV1PTGS1PTGS2SPRKDM4E
SCHEMBL6424921 0.83 SPR (0.72) TRPV1PTGS1PTGS2SPRKDM4E
SCHEMBL6425731 0.83 SPR (0.72) TRPV1PTGS1PTGS2SPRKDM4E

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
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
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 TRPV1 253/4885PTGS1 122/4885PTGS2 240/4885

“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.