SCHEMBL5147315

SCHEMBL5147315

CCCNc1cccc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HTT P42858 1/20 0.54
GAA P10253 3/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 3/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.42
IDO1 P14902 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SLC2A1 P11166 1/20 0.41
HTR1A P08908 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
SCHEMBL11170519 0.89 MAPT (0.67) MAPTHTTGAATP53MAPK1
SCHEMBL183363 0.88 MAPT (0.50) MAPTHTTGAATP53MAPK1
SCHEMBL28875347 0.86 MAPT (0.48) MAPTHTTGAATP53MAPK1
SCHEMBL10453654 0.85 MAPT (0.56) MAPTHTTGAATP53MAPK1
Hydrochloric Acid SCHEMBL3792593 0.83 MAPT (0.46) MAPTHTTGAATP53MAPK1
Hydrochloric Acid SCHEMBL27653573 0.83 MAPT (0.46) MAPTHTTGAATP53MAPK1
SCHEMBL1485722 0.83 MAPT (0.78) MAPTHTTGAAKMT2AALDH1A1
SCHEMBL1122539 0.83 MAPT (0.53) MAPTHTTGAATP53MAPK1
SCHEMBL3875802 0.82 KMT2A (0.60) MAPTHTTGAATP53MAPK1
SCHEMBL7996193 0.82 MAPT (0.52) MAPTHTTGAATP53MAPK1

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
EP-1697303-A4 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES (US) 2007-07-04 EP disclosed
EP-1697303-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2006-09-06 EP disclosed
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 US disclosed
WO-2005068414-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2005-07-28 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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH MAPT 3708/4885HTT 441/4885GAA 3522/4885

“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.