SCHEMBL16340294

SCHEMBL16340294

COC(=O)C1(C#N)CCN(C(=O)Cn2nc(C(F)F)cc2C(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CCR1 P32246 2/20 0.32
FLT3 P36888 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MAPK1 P28482 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL16340298 0.88 ALDH1A1 (0.36) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL16340378 0.81 ALDH1A1 (0.42) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL17746779 0.77 ALDH1A1 (0.41) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL16340084 0.76 CYP2D6 (0.35) ALDH1A1GAACYP1A2CYP3A4CYP2D6
SCHEMBL38659345 0.75 ALDH1A1 (0.38) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL30404348 0.75 TSHR (0.47) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL2000959 0.74 ALDH1A1 (0.41) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL16339917 0.72 ALDH1A1 (0.40) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL18854208 0.71 ALDH1A1 (0.54) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL16335810 0.70 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6CYP2C19LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013821-B1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-03-14 EP disclosed
US-9717243-B2 Piperidinecarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-01 US disclosed
US-20160135461-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-19 US disclosed
EP-3013821-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-05-04 EP disclosed
CN-105473585-A Piperidinecarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG 2016-04-06 CN disclosed
WO-2014206896-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2014-12-31 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-20160135461-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, Q6ZSR9 ALDH1A1 120/4885GAA 315/4885HPGD 1053/4885

“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.