SCHEMBL4017286

SCHEMBL4017286

CCOC(=O)CNc1ccc(F)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 7/20 0.56
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
VDR P11473 1/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CA P42336 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL20169248 0.88 ALDH1A1 (0.58) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL9573784 0.84 LMNA (0.52) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL9744204 0.81 CLCN2 (0.45) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL8196433 0.81 LMNA (0.72) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL16887793 0.81 ALDH1A1 (0.61) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL13541679 0.81 ALDH1A1 (0.54) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL21935935 0.81 SMN1; SMN2 (0.50) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL8540162 0.79 GLA (0.49) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL7802433 0.78 LMNA (0.61) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL5445479 0.78 POLB (0.66) MAPTALDH1A1KMT2ALMNAPOLB

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-7482365-B2 4-(2,2-Dimethyl-propylamino)-2-(4-fluoro-2-methyl-phenyl)-piperidine-1-carboxylic acid, [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methylamide; specific antagonists of tachykinins receptor: substance P and neurokinins (NK1); antidepressant, anxiolytic agent; serotonin receptor inhibitor GLAXO GROUP LIMITED (GB) 2009-01-27 US disclosed
US-20050171153-A1 Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases GLAXO GROUP LIMITED (GB) 2005-08-04 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-20050171153-A1 Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases NPSR1, NPY1R, NPY2R MAPT 2288/4885ALDH1A1 2635/4885KMT2A 1168/4885

“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.