SCHEMBL3060099

SCHEMBL3060099

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.54
AR P10275 3/20 0.45
TRPV4 Q9HBA0 1/20 0.44
KCNH2 Q12809 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP11B2 P19099 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
SCHEMBL3060094 0.94 PGR (0.54) PGRARTRPV4KCNH2CYP2C19
SCHEMBL4894082 0.94 PGR (0.52) PGRARTRPV4KCNH2CYP2C19
SCHEMBL3054008 0.90 PGR (0.56) PGRARTRPV4KCNH2CYP2C19
SCHEMBL3048933 0.90 PGR (0.47) PGRARTRPV4KCNH2
SCHEMBL4901685 0.86 PGR (0.52) PGRARTRPV4KCNH2CYP2C19
SCHEMBL3054719 0.86 PGR (0.58) PGRARKCNH2CYP2C19
SCHEMBL5346116 0.85 TRPV4 (0.46) PGRARTRPV4CYP11B2
SCHEMBL3055801 0.84 PGR (0.54) PGRARTRPV4KCNH2CYP2C19
SCHEMBL3048940 0.84 AR (0.44) PGRAR
SCHEMBL25571732 0.83 PGR (0.45) PGRARKCNH2

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 16 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
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 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
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO claimed
US-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-02 US disclosed
EP-2210603-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE ACCUMULATION OF AMYLOID- B PROTEIN Sumitomo Chemical Company, Limited (JP) 2010-07-28 EP disclosed
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
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 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
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 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 (3 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-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION APP, PSEN1, BACE1 PGR 4327/4885AR 3599/4885TRPV4 4639/4885
US-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty TNNC1, TNNI3, TNNT2 PGR 1921/4885AR 500/4885TRPV4 2146/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 PGR 29/4885AR 6/4885TRPV4 494/4885

“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.