SCHEMBL16965477

SCHEMBL16965477

CN(C)C(=O)Cc1c(F)cc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.46
ERN1 O75460 1/20 0.42
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
GRIN2B Q13224 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CNR1 P21554 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL16965649 0.86 TAAR1 (0.44) RIPK1ERN1ALDH1A1POLB
SCHEMBL8572761 0.80 GRM5 (0.42) HTTALDH1A1CES2CES1
SCHEMBL8572638 0.78 MEN1 (0.41) POLBGRIN2BCES2CES1GABRA1
SCHEMBL1560230 0.77 RIPK1 (0.42) RIPK1ERN1ALDH1A1CES2CES1
SCHEMBL6862439 0.76 CES2 (0.43) RIPK1ERN1ALDH1A1CES2CES1
SCHEMBL8571443 0.76 RIPK1 (0.51) RIPK1HTTALDH1A1GRIN2BCES2
SCHEMBL8572100 0.76 RIPK1 (0.50) RIPK1HTTALDH1A1GRIN2BCES2
SCHEMBL153965 0.74 CES2 (0.41) RIPK1ERN1ALDH1A1POLBCES2
SCHEMBL16681872 0.73 RIPK1 (0.44) RIPK1ERN1HTTALDH1A1CES2
SCHEMBL512668 0.73 LMNA (0.43) RIPK1HTTALDH1A1POLB

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-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
EP-2900242-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP 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-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GCGR, GPR139 RIPK1 3739/4885ERN1 3895/4885HTT 3293/4885

“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.