SCHEMBL1965743

SCHEMBL1965743

COc1ccccc1CCNCC1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.60
ALDH1A1 P00352 3/20 0.57
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HTR2A P28223 3/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CXCR4 P61073 3/20 0.52
HPGD P15428 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50

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
SCHEMBL416347 0.84 CXCR4 (0.65) ALDH1A1HTR2AHTR2CHTR2BKMT2A
SCHEMBL21243265 0.83 MPO (0.70) MPOMTNR1AMTNR1BKMT2AMEN1
SCHEMBL1968728 0.81 HTR2A (0.55) MTNR1AMTNR1BHTR2AHTR2CTAAR1
SCHEMBL1970142 0.80 HTR2A (0.54) ALDH1A1HTR2AHTR2CKMT2AMEN1
SCHEMBL1968533 0.79 TP53 (0.47) MPOHTR2AKMT2AMEN1L3MBTL1
SCHEMBL4851028 0.78 MPO (0.64) MPOMTNR1AMTNR1BHTR2AHTR2C
SCHEMBL28512567 0.77 HTR2A (0.40) MPOALDH1A1MTNR1AMTNR1BHTR2A
SCHEMBL1969123 0.77 MTNR1A (0.63) MTNR1AMTNR1BHTR2ALMNAKMT2A
SCHEMBL11301389 0.77 HTR2A (0.44) MPOALDH1A1MTNR1AMTNR1BHTR2A
SCHEMBL11301390 0.77 HTR2A (0.44) MPOMTNR1AMTNR1BHTR2AHTR2C

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
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 MPO 3915/4885ALDH1A1 2292/4885MTNR1A 23/4885

“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.