SCHEMBL9920115

SCHEMBL9920115

O=C1CC[C@H]2[C@H]3Cc4ccc(F)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.57
OPRK1 P41145 7/20 0.57
OPRM1 P35372 7/20 0.57
LMNA P02545 1/20 0.57
PDE4D Q08499 1/20 0.57
MRGPRX2 Q96LB1 1/20 0.57
CYP2D6 P10635 2/20 0.46
CHRNA7 P36544 1/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL12588809 0.90 OPRD1 (0.59) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12306940 0.90 OPRD1 (0.59) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12929746 0.89 OPRM1 (0.58) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12303427 0.89 OPRD1 (0.72) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL16312089 0.89 OPRD1 (0.72) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL14066449 0.89 OPRD1 (0.72) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL3844397 0.89 OPRD1 (0.72) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL3844407 0.89 OPRD1 (0.72) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL22892792 0.89 OPRD1 (0.72) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL25681504 0.89 OPRD1 (0.72) OPRD1OPRK1OPRM1LMNAPDE4D

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-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-14 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-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS OPRD1 3594/4885OPRK1 2388/4885OPRM1 2013/4885

“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.