SCHEMBL5360898

SCHEMBL5360898

COC(=O)C1(c2ccc(CN)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
AKR1C1 Q04828 3/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
APP P05067 6/20 0.36
CYP2C19 P33261 5/20 0.36
CYP2C9 P11712 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
BDKRB1 P46663 1/20 0.35
OPRM1 P35372 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KCNN4 O15554 1/20 0.34

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
SCHEMBL5362632 0.86 OPRM1 (0.50) OPRM1
SCHEMBL5365057 0.82 OPRM1 (0.48) OPRM1
SCHEMBL5673268 0.81 HDAC1 (0.41) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL15897520 0.80 AKR1C3 (0.41) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL5354756 0.75 AR (0.39) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL2127213 0.74 APP (0.36) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL7407126 0.74 APP (0.56) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL15456848 0.74 ATM (0.44) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL14008570 0.74 ATM (0.44) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL20601546 0.74 OPRM1 (0.52) APPCYP2C19CYP2C9CYP3A4LMNA

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 AKR1C3 756/4885AKR1C2 1134/4885AKR1C1 952/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 AKR1C3 673/4885AKR1C2 1108/4885AKR1C1 918/4885

“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.