SCHEMBL9919704

SCHEMBL9919704

C=CCN1CC[C@]23c4c5ccc(F)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.81
OPRK1 P41145 6/20 0.81
OPRD1 P41143 6/20 0.81
SIGMAR1 Q99720 1/20 0.81
MRGPRX2 Q96LB1 4/20 0.57
SLC22A1 O15245 1/20 0.57
ADRA2A P08913 1/20 0.57
ARRB1 P49407 1/20 0.57
ADRB1 P08588 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3A Q14432 1/20 0.57

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
SCHEMBL10045461 0.91 OPRM1 (0.81) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
SCHEMBL12030889 0.91 OPRM1 (0.81) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL17771837 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL16015635 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL6908593 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL12230555 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL19199030 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL38920 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL12091243 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2
Nalorphine SCHEMBL14124636 0.90 OPRM1 (1.00) OPRM1OPRK1OPRD1SIGMAR1MRGPRX2

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-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-14 US disclosed
WO-2010081034-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO 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 OPRM1 2013/4885OPRK1 2388/4885OPRD1 3594/4885

“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.