SCHEMBL998380

SCHEMBL998380

COc1ccc2[nH]c3c(c2c1)CCCN(C(=O)Nc1ccccc1F)C3

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.65
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
ALOX15 P16050 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDR P35968 3/20 0.56
GAA P10253 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
BAZ2B Q9UIF8 1/20 0.50

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
SCHEMBL998293 0.89 TRPV1 (0.57) TRPV1MEN1MAPTALOX15KMT2A
SCHEMBL1079313 0.87 TRPV1 (0.69) TRPV1MAPTKDRBAZ2B
SCHEMBL1000419 0.85 TRPV1 (0.88) TRPV1
SCHEMBL996819 0.82 TRPV1 (0.59) TRPV1ALDH1A1KDRBAZ2B
SCHEMBL1080209 0.81 TRPV1 (0.59) TRPV1MEN1MAPTALOX15KMT2A
SCHEMBL998549 0.79 TRPV1 (1.00) TRPV1
SCHEMBL998530 0.79 MAPT (0.61) MEN1MAPTALOX15KMT2AKDM4E
SCHEMBL998342 0.79 TRPV1 (0.88) TRPV1MEN1MAPTALOX15KMT2A
SCHEMBL999203 0.79 TRPV1 (0.88) TRPV1MEN1MAPTKMT2A
SCHEMBL998299 0.79 TRPV1 (0.71) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS TRPV1 2437/4885MEN1 1017/4885MAPT 4705/4885

“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.