SCHEMBL17173139

SCHEMBL17173139

CC(C)[C@@]1(C)CCN(CC(F)F)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL24848214 0.84
SCHEMBL13763371 0.78 TSHR (0.39)
SCHEMBL18459004 0.78 TSHR (0.39)
SCHEMBL17176304 0.78 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL19011591 0.77
SCHEMBL18459249 0.76 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL16980434 0.74 S1PR4 (0.33)
SCHEMBL23875330 0.73
SCHEMBL18459003 0.73 CNR2 (0.31)
SCHEMBL18506845 0.72 EPHX2 (0.40) OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260439-B2 Dihydropyrrolopyrimidine derivatives PFIZER INC. (US) 2016-02-16 US disclosed
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER (US) 2015-10-15 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-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES DPYD, TPD52L2, DTYMK OPRM1 3345/4885OPRD1 1886/4885OPRK1 1842/4885

“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.