SCHEMBL13633142

SCHEMBL13633142

CC(C)CCNCc1ccc(-c2cccc(C(N)=O)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
CA2 P00918 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
HDAC1 Q13547 1/20 0.43
KLKB1 P03952 1/20 0.42
BACE1 P56817 2/20 0.42
S1PR1 P21453 1/20 0.42
F3 P13726 1/20 0.39
CLK1 P49759 1/20 0.39
ERN1 O75460 1/20 0.39
PARP1 P09874 3/20 0.39
FAAH O00519 1/20 0.39
DPP4 P27487 1/20 0.38
SHMT1 P34896 1/20 0.37

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
Hydrochloric Acid SCHEMBL4082867 0.99 CA2 (0.46) OPRM1OPRD1OPRK1CA2AKR1C3
SCHEMBL1347921 0.88 OPRM1 (0.46) OPRM1OPRD1OPRK1CA2AKR1C3
SCHEMBL4249213 0.84 OPRM1 (0.48) OPRM1OPRD1OPRK1CA2HDAC1
SCHEMBL1345547 0.84 HDAC1 (0.58) OPRM1OPRD1OPRK1CA2HDAC1
Trifluoroacetic Acid SCHEMBL3337486 0.84 AKR1C3 (0.43) OPRM1OPRD1OPRK1CA2AKR1C3
SCHEMBL1347788 0.83 OPRM1 (0.52) OPRM1OPRD1OPRK1CA2HDAC1
Trifluoroacetic Acid SCHEMBL3342436 0.80 HDAC1 (0.54) OPRM1OPRD1OPRK1CA2HDAC1
SCHEMBL1348140 0.79 FAAH (0.45) OPRM1OPRD1OPRK1KLKB1PARP1
SCHEMBL1346245 0.79 KDM1A (0.46) OPRM1OPRD1OPRK1CA2HDAC1
SCHEMBL13928872 0.79 AKR1C3 (0.47) AKR1C3AKR1C2HDAC1KLKB1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRD1 1/4885OPRK1 2/4885

“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.