SCHEMBL2122874

SCHEMBL2122874

CC(C)(C)[C@@]1(Cc2nc3cc(C(F)(F)F)ccn3c2Cl)CCCCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 9/20 0.35
TRPA1 O75762 1/20 0.34
USP7 Q93009 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAT2A P31153 1/20 0.32
MAP3K14 Q99558 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL2122677 0.81 CYP11B1 (0.36)
SCHEMBL2120939 0.80 KDM4E (0.37) HCRTR1HCRTR2ALDH1A1L3MBTL1PDE10A
SCHEMBL311517 0.79 AKT1 (0.31)
SCHEMBL2124400 0.77 SMN1; SMN2 (0.36) ALDH1A1MEN1TSHRKMT2A
SCHEMBL2124331 0.73 ALDH1A1 (0.40) ALDH1A1TSHRKMT2A
SCHEMBL4167672 0.73 RHOC (0.38) ALDH1A1
SCHEMBL2123540 0.73 KMT2A (0.34) ALDH1A1MEN1TSHRKMT2AL3MBTL1
SCHEMBL2120843 0.72 MCHR1 (0.39) ALDH1A1
SCHEMBL2120890 0.69 HCRTR1 (0.33) HCRTR1HCRTR2MEN1TSHRKMT2A
SCHEMBL2122869 0.69 METTL3 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 HCRTR1 2/4885HCRTR2 1/4885TRPA1 201/4885

“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.