SCHEMBL1968977

SCHEMBL1968977

COc1ccc(Br)cc1CCN(CC1CC1)C(=O)c1nc(N)sc1-c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.42
HCRTR2 O43614 10/20 0.42
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MC4R P32245 2/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
WDR5 P61964 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL1967041 0.92 HCRTR1 (0.44) HCRTR1HCRTR2WDR5KDM4EALDH1A1
SCHEMBL1969278 0.91 HCRTR1 (0.45) HCRTR1HCRTR2MEN1KMT2AOXTR
SCHEMBL1968909 0.89 HCRTR1 (0.42) HCRTR1HCRTR2OXTRAVPR1AKDM4E
SCHEMBL1970326 0.88 HCRTR1 (0.44) HCRTR1HCRTR2OXTRAVPR1AALDH1A1
SCHEMBL1967334 0.87 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1SMN1; SMN2POLB
SCHEMBL1970881 0.86 HCRTR1 (0.45) HCRTR1HCRTR2MEN1KMT2AOXTR
SCHEMBL1968475 0.85 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL2404560 0.84 ICMT (0.39) HCRTR1HCRTR2MC4R
SCHEMBL1969720 0.84 HCRTR1 (0.41) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL1970126 0.84 HCRTR1 (0.41) HCRTR1HCRTR2MEN1KMT2AKDM4E

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
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP 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

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 HCRTR1 2/4885HCRTR2 1/4885MEN1 525/4885

“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.