SCHEMBL4894082

SCHEMBL4894082

CCCN(CC)c1ccc(C#N)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 14/20 0.52
AR P10275 2/20 0.43
TRPV4 Q9HBA0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.40
S1PR1 P21453 1/20 0.39
IGLV6-57 P01721 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3060099 0.94 PGR (0.54) PGRARTRPV4CYP2C19KCNH2
SCHEMBL3055801 0.91 PGR (0.54) PGRARTRPV4KDM4EMEN1
SCHEMBL4901685 0.90 PGR (0.52) PGRARTRPV4KDM4EMEN1
SCHEMBL3060094 0.88 PGR (0.54) PGRARTRPV4CYP2C19KCNH2
SCHEMBL3054008 0.84 PGR (0.56) PGRARTRPV4CYP2C19KCNH2
SCHEMBL3048933 0.84 PGR (0.47) PGRARTRPV4KCNH2
SCHEMBL3054719 0.83 PGR (0.58) PGRARCYP2C19KCNH2
SCHEMBL3057297 0.80 PGR (0.44) PGRARTRPV4KDM4EMEN1
SCHEMBL4904296 0.79 PGR (0.50) PGRCYP2C19
SCHEMBL5346116 0.79 TRPV4 (0.46) PGRARTRPV4

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-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty PFIZER PRODUCTS INC. (US) 2008-02-21 US claimed
EP-1747193-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY Pfizer Products Incorporated (US) 2007-01-31 EP claimed
WO-2006024931-A2 THERAPEUTIC COMBINATIONS COMPRISING A SELECTIVE ESTROGEN RECEPTOR MODULATOR AND A SELECTIVE ANDROGEN RECEPTOR MODULATOR PFIZER PRODUCTS INC. (US) 2006-03-09 WO claimed
WO-2005108351-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY PFIZER PRODUCTS INC. (US) 2005-11-17 WO claimed
US-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty PFIZER PRODUCTS INC. (US) 2008-02-21 US disclosed
EP-1747193-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY Pfizer Products Incorporated (US) 2007-01-31 EP disclosed
WO-2006024931-A2 THERAPEUTIC COMBINATIONS COMPRISING A SELECTIVE ESTROGEN RECEPTOR MODULATOR AND A SELECTIVE ANDROGEN RECEPTOR MODULATOR PFIZER PRODUCTS INC. (US) 2006-03-09 WO disclosed
WO-2005108351-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY PFIZER PRODUCTS INC. (US) 2005-11-17 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-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty TNNC1, TNNI3, TNNT2 PGR 1921/4885AR 500/4885TRPV4 2146/4885

“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.