SCHEMBL999928

SCHEMBL999928

COc1ccccc1NC(=O)N1CCCc2c([nH]c3ccccc23)C1C(F)(F)F

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.89
NPSR1 Q6W5P4 3/20 0.68
POLB P06746 3/20 0.68
TRPV1 Q8NER1 1/20 0.55
PKM P14618 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
PDE5A O76074 3/20 0.44

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
SCHEMBL998493 0.90 MAPT (0.73) MAPTNPSR1POLBTRPV1MEN1
SCHEMBL997897 0.86 MAPT (0.66) MAPTNPSR1POLBTRPV1PKM
SCHEMBL996854 0.85 MAPT (0.71) MAPTNPSR1POLBTRPV1PKM
SCHEMBL997259 0.85 MAPT (0.67) MAPTNPSR1POLBPKMMEN1
SCHEMBL1078960 0.83 MAPT (0.88) MAPTNPSR1POLBTRPV1PKM
SCHEMBL1001047 0.83 MAPT (0.63) MAPTNPSR1POLBTRPV1PKM
SCHEMBL1001595 0.83 MAPT (0.76) MAPTNPSR1POLBTRPV1PKM
SCHEMBL998530 0.81 MAPT (0.61) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL6004236 0.81 MAPT (0.60) MAPTNPSR1POLBKMT2AALDH1A1
SCHEMBL1078458 0.81 MAPT (0.61) MAPTNPSR1POLBTRPV1PKM

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 MAPT 4705/4885NPSR1 275/4885POLB 1026/4885

“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.