SCHEMBL5354756

SCHEMBL5354756

COC(=O)C1(c2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP11B2 P19099 3/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
CYP11B1 P15538 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
CACNA1H O95180 3/20 0.38
KCNA3 P22001 1/20 0.37
APP P05067 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
S1PR3 Q99500 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14446345 0.85 OPRM1 (0.49)
SCHEMBL8476205 0.82 APP (0.52) TRPV4AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL5365973 0.81 OPRM1 (0.47)
SCHEMBL15897520 0.80 AKR1C3 (0.41) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL5673268 0.78 HDAC1 (0.41) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL8484905 0.77 APP (0.47) TRPV4CYP11B2AKR1C3AKR1C2AKR1C1
SCHEMBL8021394 0.77 ALDH1A1 (0.39) CACNA1HCYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL348764 0.76 PGR (0.44) CYP11B2KCNA3CYP2C9CYP2C19CYP3A4
SCHEMBL8005560 0.75 CHRM2 (0.38) ALDH1A1
SCHEMBL5360898 0.75 AKR1C3 (0.38) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4

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 7 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
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 AR 4072/4885TRPV4 1643/4885TRPA1 3512/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 AR 4229/4885TRPV4 1406/4885TRPA1 3052/4885

“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.