SCHEMBL998070

SCHEMBL998070

COc1ccc2[nH]c3c(c2c1)CCNC3(C)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 0.52
OPRM1 P35372 1/20 0.47
OGFRL1 Q5TC84 1/20 0.47

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
SCHEMBL998772 0.84 OPRM1 (0.53) CFTROPRM1OGFRL1
SCHEMBL2977418 0.74 CFTR (0.49) CFTROPRM1OGFRL1
SCHEMBL6245939 0.72 MAPKAPK2 (0.54) CFTR
Hydrochloric Acid SCHEMBL6354640 0.71 MAPKAPK2 (0.53) CFTR
SCHEMBL2706845 0.71 MAPKAPK2 (0.52) CFTR
SCHEMBL998966 0.70 KMT2A (0.44)
SCHEMBL274568 0.70 OPRM1 (0.60) OPRM1OGFRL1
SCHEMBL6276731 0.70 CFTR (0.60) CFTR
SCHEMBL10038865 0.69 OPRM1 (0.86) CFTROPRM1OGFRL1
SCHEMBL517453 0.69 OPRM1 (0.86) CFTROPRM1OGFRL1

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 CFTR 1747/4885OPRM1 1743/4885OGFRL1 2821/4885

“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.