SCHEMBL19282960

SCHEMBL19282960

CC(C)(C)N(C(=O)O)C1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.52
OPRL1 P41146 4/20 0.52
APP P05067 2/20 0.43
P2RY14 Q15391 3/20 0.40
KIF11 P52732 5/20 0.39
THRB P10828 1/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
FFAR1 O14842 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL2696940 0.78 OPRM1 (0.42) OPRM1OPRL1
SCHEMBL2503974 0.75 MAPT (0.41) OPRM1OPRL1CYP3A4
SCHEMBL2508530 0.74 OPRL1 (0.42) OPRM1OPRL1
SCHEMBL2189905 0.72 ALDH1A1 (0.36) OPRM1OPRL1
SCHEMBL2032267 0.72 OPRM1 (0.37) OPRM1OPRL1
SCHEMBL2052341 0.70 OPRM1 (0.32) OPRM1OPRL1
SCHEMBL2507297 0.70 MAPT (0.39) OPRM1OPRL1CYP3A4
SCHEMBL2730186 0.70 F11 (0.41)
SCHEMBL2030574 0.69 CES2 (0.42) OPRM1OPRL1
SCHEMBL1900125 0.69 CTSL (0.32) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-31 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-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 OPRM1 3074/4885OPRL1 2176/4885APP 2472/4885

“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.