SCHEMBL4823323

SCHEMBL4823323

N#Cc1ccc(C2(O)CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.47
AR P10275 3/20 0.42
CYP11B2 P19099 14/20 0.38
CYP11B1 P15538 13/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL17202871 0.93 TRPV4 (0.44) TRPV4ARCYP11B2CYP11B1PGR
SCHEMBL17202582 0.86 TRPV4 (0.44) TRPV4ARCYP11B2CYP11B1
SCHEMBL3854368 0.83 AR (0.42) TRPV4AR
SCHEMBL3856508 0.81 CCR1 (0.46) AR
SCHEMBL17202410 0.77 TRPV4 (0.46) TRPV4CYP11B2CYP11B1PGR
SCHEMBL8476205 0.77 APP (0.52) TRPV4
SCHEMBL23215170 0.77 SLC6A3 (0.47) CYP11B2CYP11B1
SCHEMBL18501256 0.76 TRPV4 (0.44) TRPV4CYP11B2CYP11B1PGR
SCHEMBL10535000 0.76 TRPV4 (0.44) TRPV4ARCYP11B2CYP11B1PGR
SCHEMBL10534920 0.75 TRPV4 (0.43) TRPV4ARCYP11B2CYP11B1PGR

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-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP disclosed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US disclosed
CN-1404481-A Nicotinamide benzofused heterocyclic derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2003-03-19 CN disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 TRPV4 676/4885AR 4219/4885CYP11B2 343/4885

“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.