SCHEMBL997703

SCHEMBL997703

O=C(NC1CCCCC1)N1CCCc2c([nH]c3ccccc23)C1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
NPSR1 Q6W5P4 2/20 0.62
POLB P06746 2/20 0.59
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RB1 P06400 4/20 0.49
LMNA P02545 1/20 0.46
KLK7 P49862 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL1078960 0.83 MAPT (0.88) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL1079130 0.82 MAPT (0.65) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL6007306 0.82 MAPT (0.65) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL1000594 0.82 POLB (0.71) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL1001595 0.81 MAPT (0.76) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL1000078 0.80 MAPT (0.71) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL997897 0.80 MAPT (0.66) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL998962 0.80 MAPT (0.74) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL997833 0.80 MAPT (0.74) MAPTNPSR1POLBALDH1A1KDM4E
SCHEMBL1000595 0.79 MAPT (0.64) MAPTNPSR1POLBALDH1A1KDM4E

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.