SCHEMBL4902159

SCHEMBL4902159

CC[C@@H](C)N(C)c1ccc(C#N)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.45
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
PGR P06401 9/20 0.37
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4902166 1.00 AR (0.45) ARMAOBMAOAPGRKDM4E
SCHEMBL5176372 0.87 ALDH1A1 (0.41) ARMAOBMAOAPGRCYP2C19
SCHEMBL4894270 0.86 PGR (0.49) ARPGRCYP2C19
SCHEMBL4894275 0.86 PGR (0.49) ARPGRCYP2C19
SCHEMBL4899853 0.85 MAOA (0.40) ARMAOBMAOAPGRKDM4E
SCHEMBL4916336 0.85 MAOA (0.40) ARMAOBMAOAPGRKDM4E
SCHEMBL4896904 0.83 MAOA (0.38) ARMAOBMAOAPGRCYP2C19
SCHEMBL4896895 0.83 MAOA (0.38) ARMAOBMAOAPGRCYP2C19
SCHEMBL4901224 0.82 MAOA (0.41) ARMAOBMAOAPGRKDM4E
SCHEMBL4901837 0.82 AR (0.61) ARPGR

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 4 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-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

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 500/4885MAOB 2521/4885MAOA 2376/4885

“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.