SCHEMBL998462

SCHEMBL998462

COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(Cl)cc1)C3C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
TP53 P04637 4/20 0.67
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 2/20 0.57
TRPV1 Q8NER1 2/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MAPKAPK2 P49137 4/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
LMNA P02545 1/20 0.46
LHCGR P22888 1/20 0.45
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 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
SCHEMBL997812 0.94 MAPT (0.75) MAPTTP53NPSR1POLBTRPV1
SCHEMBL997405 0.93 MAPT (0.62) MAPTTP53NPSR1POLBTRPV1
SCHEMBL1001238 0.92 MAPT (0.68) MAPTTP53NPSR1POLBTRPV1
SCHEMBL998555 0.91 MAPT (0.63) MAPTTP53NPSR1POLBTRPV1
SCHEMBL997711 0.91 MAPT (0.67) MAPTTP53NPSR1POLBTRPV1
SCHEMBL998332 0.91 MAPT (0.74) MAPTTP53NPSR1POLBTRPV1
SCHEMBL999212 0.91 MAPT (0.61) MAPTTP53NPSR1POLBTRPV1
SCHEMBL998278 0.90 MAPT (0.59) MAPTTP53NPSR1POLBTRPV1
SCHEMBL999371 0.90 MAPT (0.60) MAPTTP53NPSR1POLBTRPV1
SCHEMBL999602 0.90 MAPT (0.67) MAPTTP53NPSR1POLBTRPV1

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 4705/4885TP53 945/4885NPSR1 275/4885

“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.