SCHEMBL3048075

SCHEMBL3048075

Fc1cc(-c2ccc3[nH]cnc3c2)cc(F)c1CNC1Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
PRMT5 O14744 3/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
GRIN2B Q13224 2/20 0.34
NR1I3 Q14994 3/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
FYN P06241 1/20 0.32
MAPT P10636 1/20 0.32
WDR77 Q9BQA1 1/20 0.31
QPCT Q16769 1/20 0.31
ROCK2 O75116 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
SCHEMBL3041921 0.89 OPRM1 (0.38) OPRM1OPRD1OPRK1PRMT5HDAC1
Hydrochloric Acid SCHEMBL3040445 0.88 OPRM1 (0.37) OPRM1OPRD1OPRK1PRMT5HDAC1
SCHEMBL13137164 0.88 PRMT5 (0.36) PRMT5HDAC1HDAC8HDAC6GRIN2B
SCHEMBL13137170 0.87 PRMT5 (0.36) PRMT5HDAC1HDAC8HDAC6GRIN2B
SCHEMBL13137266 0.86 GRIN2B (0.40) PRMT5HDAC1HDAC8HDAC6ALOX5AP
Hydrochloric Acid SCHEMBL3047248 0.85 GRIN2B (0.39) PRMT5HDAC1HDAC8HDAC6ALOX5AP
SCHEMBL3044397 0.84 HDAC1 (0.46) OPRM1OPRD1OPRK1PRMT5HDAC1
SCHEMBL13137230 0.83 MAP4K1 (0.37) OPRM1OPRD1OPRK1PRMT5HDAC1
Hydrochloric Acid SCHEMBL3048849 0.83 ALOX5AP (0.35) OPRM1OPRD1OPRK1PRMT5HDAC1
SCHEMBL3040301 0.82 GRIN2B (0.43) PRMT5HDAC1GRIN2BDRD2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US claimed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 4/4885OPRK1 3/4885

“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.