SCHEMBL4894261

SCHEMBL4894261

CC[C@@H](C)CNc1ccc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.44
IDO1 P14902 1/20 0.43
SLC22A12 Q96S37 4/20 0.41
HTT P42858 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
PGK1 P00558 1/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 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
SCHEMBL4905335 1.00 RORC (0.44) RORCIDO1SLC22A12HTTTRPV4
SCHEMBL5174565 0.92 ALDH1A1 (0.41) RORCIDO1SLC22A12HTTTRPV4
SCHEMBL18552774 0.84 IDO1 (0.48) RORCIDO1SLC22A12TRPV4AR
SCHEMBL4901833 0.79 AR (0.48) RORCSLC22A12AR
SCHEMBL4903923 0.79 AR (0.48) RORCSLC22A12AR
SCHEMBL4905185 0.79 AR (0.48) RORCSLC22A12AR
SCHEMBL4904652 0.79 ALDH1A1 (0.52) RORCIDO1SLC22A12HTTTRPV4
SCHEMBL4904656 0.79 ALDH1A1 (0.52) RORCIDO1SLC22A12HTTTRPV4
SCHEMBL18528094 0.77 MAP3K8 (0.48) RORCIDO1SLC22A12HTTTRPV4
SCHEMBL18528092 0.77 MAP3K8 (0.48) RORCIDO1SLC22A12HTTTRPV4

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 3 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
US-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty PFIZER PRODUCTS INC. (US) 2008-02-21 US 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

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 RORC 3357/4885IDO1 1307/4885SLC22A12 3942/4885

“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.