SCHEMBL1966295

SCHEMBL1966295

Clc1ccccc1CCNCC1CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
TP53 P04637 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
RECQL P46063 1/20 0.70
KMT2A Q03164 1/20 0.70
EBP Q15125 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
CXCR4 P61073 11/20 0.54
TAAR1 Q96RJ0 2/20 0.53
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.44
CHRM2 P08172 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL7614558 0.82 MEN1 (1.00) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL29373593 0.82 MEN1 (1.00) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL7614548 0.82 MEN1 (1.00) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL10834316 0.81 TAAR1 (0.69) MEN1TP53CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7920921 0.81 MEN1 (0.96) MEN1TP53CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7920925 0.81 MEN1 (0.96) MEN1TP53CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL30545887 0.81 MEN1 (0.96) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL2403005 0.81 KMT2A (0.53) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL1966782 0.79 MPO (0.57) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL1968533 0.79 TP53 (0.47) MEN1TP53CYP3A4CYP2D6CYP2C9

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
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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP 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 MEN1 525/4885TP53 4826/4885CYP3A4 1054/4885

“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.