SCHEMBL4901833

SCHEMBL4901833

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.48
RORC P51449 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
IDH1 O75874 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCB11 O95342 1/20 0.43
ALB P02768 1/20 0.43
PGR P06401 1/20 0.43
ADRA2C P18825 1/20 0.43
GHSR Q92847 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43

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
SCHEMBL4903923 1.00 AR (0.48) ARRORCSLC22A12IDH1CYP2C19
SCHEMBL4905185 1.00 AR (0.48) ARRORCSLC22A12IDH1CYP2C19
SCHEMBL5175028 0.93 AR (0.42) ARRORCSLC22A12IDH1CYP2C19
SCHEMBL3289361 0.87 AR (0.52) ARSLC22A12IDH1CYP2C19ABCB11
SCHEMBL18541017 0.86 AR (0.48) ARSLC22A12TAS2R14
SCHEMBL13748488 0.86 AR (0.50) ARSLC22A12CYP2C19ABCB11ALB
SCHEMBL4903899 0.85 AR (0.52) ARSLC22A12IDH1CYP2C19TAS2R14
SCHEMBL3289311 0.83 AR (0.52) ARSLC22A12IDH1PGRTAS2R14
SCHEMBL3057215 0.81 AR (0.55) ARSLC22A12IDH1TAS2R14
SCHEMBL4898546 0.81 AR (0.50) ARRORCSLC22A12CYP2C19TAS2R14

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 AR 500/4885RORC 3357/4885SLC22A12 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.