SCHEMBL3052257

SCHEMBL3052257

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Oc2cccc3c2CCN3CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.44
HIF1A Q16665 5/20 0.43
EPAS1 Q99814 5/20 0.43
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL3065125 0.97 FAAH (0.43) FAAHHIF1AEPAS1TSHRHPGD
SCHEMBL3057193 0.90 LMNA (0.41) FAAHHIF1ACYP3A4LMNANPC1
SCHEMBL3060416 0.87 MEN1 (0.49) FAAHHIF1ACYP3A4TSHRHPGD
SCHEMBL3061620 0.86 KDM4E (0.47) HIF1ACYP3A4TSHRLMNANPC1
SCHEMBL3052258 0.85 PRKAA2 (0.41) FAAHABCB1CYP3A4LMNANPC1
SCHEMBL3051209 0.84 MEN1 (0.48) LMNANPC1USP2HTTSMN1; SMN2
SCHEMBL3055931 0.83 KDM4E (0.48) FAAHHIF1ACYP3A4LMNANPC1
SCHEMBL3059769 0.83 LMNA (0.46) FAAHHIF1AEPAS1LMNAMAPK1
SCHEMBL3065128 0.83 FAAH (0.43) FAAHABCB1CYP3A4LMNANPC1
SCHEMBL3047408 0.83 TDP1 (0.47) FAAHHIF1ACYP3A4LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 FAAH 2709/4885HIF1A 149/4885EPAS1 2494/4885

“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.