SCHEMBL5373548

SCHEMBL5373548

CCOC(=O)C1(c2ccc(C#N)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.57
OPRD1 P41143 3/20 0.56
OPRK1 P41145 3/20 0.56
SLC22A1 O15245 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL2319997 0.94 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2326102 0.90 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL348764 0.83 PGR (0.44)
SCHEMBL10318609 0.81 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24220122 0.80 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1510 0.80 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1769207 0.80 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL20780087 0.79 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23225662 0.79 OPRM1 (0.79) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL12273573 0.78 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC 2004-09-02 US disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 EP 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 (2 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-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, PDE4A, NOX1 OPRM1 1911/4885OPRD1 1001/4885OPRK1 1064/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 OPRM1 1767/4885OPRD1 992/4885OPRK1 1006/4885

“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.