SCHEMBL3055801

SCHEMBL3055801

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 14/20 0.54
TRPV4 Q9HBA0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NOS2 P35228 1/20 0.39
CYP2C19 P33261 1/20 0.39
AR P10275 1/20 0.38
KCNH2 Q12809 1/20 0.38
S1PR1 P21453 1/20 0.38
NR1I2 O75469 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 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
SCHEMBL3054008 0.94 PGR (0.56) PGRTRPV4NOS2CYP2C19AR
SCHEMBL3060094 0.91 PGR (0.54) PGRTRPV4NOS2CYP2C19AR
SCHEMBL4894082 0.91 PGR (0.52) PGRTRPV4KDM4EMEN1MAPT
SCHEMBL4901685 0.88 PGR (0.52) PGRTRPV4KDM4EMEN1MAPT
SCHEMBL5692532 0.85 PGR (0.43) PGRKDM4EMEN1MAPTKMT2A
SCHEMBL3060099 0.84 PGR (0.54) PGRTRPV4CYP2C19ARKCNH2
SCHEMBL3057815 0.80 AR (0.54) PGRAR
SCHEMBL28308819 0.80 SLC16A3 (0.42) PGRKDM4EMEN1MAPTKMT2A
SCHEMBL3057297 0.77 PGR (0.44) PGRTRPV4KDM4EMEN1MAPT
SCHEMBL5692130 0.77 AR (0.51) PGRAR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US 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-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION APP, PSEN1, BACE1 PGR 4327/4885TRPV4 4639/4885KDM4E 4274/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 PGR 29/4885TRPV4 494/4885KDM4E 2697/4885

“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.