SCHEMBL2406756

SCHEMBL2406756

Clc1ccc(CCNCC2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
TAAR1 Q96RJ0 1/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX1 P07099 1/20 0.48
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL1967205 0.83 ALDH1A1 (0.52) ALDH1A1CA1CA2CYP1A2CYP2D6
SCHEMBL5781480 0.82 ADRA1D (0.41) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL25343202 0.81 GFER (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL1967608 0.81 NPC1 (0.46) KMT2ATAAR1NPC1RAB9AMEN1
SCHEMBL1968986 0.81 L3MBTL1 (0.50) KMT2ATAAR1JAK2JAK1TYK2
SCHEMBL1969046 0.81 TAAR1 (0.50) TAAR1JAK2JAK1TYK2JAK3
SCHEMBL1967142 0.81 HTR2A (0.56) KMT2ATAAR1MEN1CXCR4
SCHEMBL3637783 0.81 KMT2A (0.64) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL3648985 0.81 TAAR1 (0.46) KMT2ATAAR1JAK2JAK1TYK2
SCHEMBL5681339 0.80 TAAR1 (0.67) TAAR1LMNAL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMT2A 253/4885TAAR1 48/4885JAK2 2042/4885

“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.