SCHEMBL2120939

SCHEMBL2120939

CC(C)(C)[C@@]1(Cc2cn3ccc(C(F)(F)F)cc3n2)CCCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HCRTR1 O43613 6/20 0.33
HCRTR2 O43614 6/20 0.33
GRM5 P41594 1/20 0.33
PARP1 P09874 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2120843 0.86 MCHR1 (0.39) KDM4EALDH1A1POLBHPGDMAPT
SCHEMBL2120299 0.85 METTL3 (0.41) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2121709 0.83 KDM4E (0.45) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL2512855 0.81 KDM4E (0.36) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2122874 0.80 HCRTR1 (0.35) ALDH1A1L3MBTL1HCRTR1HCRTR2PDE10A
SCHEMBL2122900 0.79 KDM4E (0.34) KDM4EALDH1A1POLBL3MBTL1HPGD
SCHEMBL311401 0.78 PDE8B (0.32) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2538401 0.77 KDM4E (0.33) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2533055 0.77 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10HCRTR1
SCHEMBL2121865 0.75 KDM4E (0.46) KDM4EALDH1A1POLBHPGDHSD17B10

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 KDM4E 769/4885ALDH1A1 761/4885POLB 4371/4885

“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.