SCHEMBL4903311

SCHEMBL4903311

CC(C)C(C)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.52
SLC22A12 Q96S37 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
PGR P06401 1/20 0.44

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
SCHEMBL19976340 0.88 AR (0.50) ARSLC22A12TAS2R14PGR
SCHEMBL3289362 0.88 AR (0.55) ARSLC22A12TAS2R14ABCG2PGR
SCHEMBL3290604 0.85 AR (0.52) ARSLC22A12TAS2R14ABCG2PGR
SCHEMBL4898542 0.82 AR (0.50) ARSLC22A12TAS2R14
SCHEMBL4898546 0.82 AR (0.50) ARSLC22A12TAS2R14
SCHEMBL4905143 0.82 AR (0.50) ARSLC22A12TAS2R14
SCHEMBL5120802 0.81 AR (0.49) ARSLC22A12TAS2R14PGR
SCHEMBL4595644 0.81 TAS2R14 (0.52) ARSLC22A12TAS2R14PGR
SCHEMBL24632242 0.81 AR (0.49) ARSLC22A12TAS2R14
SCHEMBL3044589 0.80 AR (0.48) ARSLC22A12

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 2 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 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 AR 500/4885SLC22A12 3942/4885TAS2R14 3494/4885

“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.