SCHEMBL2403005

SCHEMBL2403005

Clc1cccc(Cl)c1CCNCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
CXCR4 P61073 4/20 0.45
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRL1 P41146 2/20 0.41
OPRM1 P35372 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
SCHEMBL1966295 0.81 MEN1 (0.70) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL11934821 0.74 RECQL (0.46) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL13438701 0.74 RECQL (0.46) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL2406756 0.73 KMT2A (0.51) KMT2AMEN1CYP2D6CYP2C19CXCR4
SCHEMBL1967142 0.72 HTR2A (0.56) KMT2AMEN1CXCR4SIGMAR1TAAR1
SCHEMBL11132934 0.69 MEN1 (0.50) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL17057103 0.69 CCNT1 (0.35) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL17110148 0.69 TAAR1 (0.44) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL29373593 0.69 MEN1 (1.00) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL7614558 0.69 MEN1 (1.00) KMT2AMEN1TP53CYP3A4CYP2D6

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMT2A 253/4885MEN1 525/4885TP53 4826/4885

“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.