SCHEMBL1973734

SCHEMBL1973734

O=C(c1nccnc1-c1cccc(C(F)(F)F)c1)N(CCc1c[nH]c2cc(F)c(Cl)cc12)CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.35
HCRTR2 O43614 2/20 0.35
HCRTR1 O43613 1/20 0.35
KCNH2 Q12809 2/20 0.35
KCNA5 P22460 1/20 0.35
SNCA P37840 2/20 0.33
HTR1A P08908 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
NAMPT P43490 1/20 0.32
GOT1 P17174 1/20 0.32
TDO2 P48775 1/20 0.32
PKM P14618 1/20 0.32
RORB Q92753 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
RORC P51449 1/20 0.31
ICMT O60725 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL1971621 0.94 TACR2 (0.37) TACR2HCRTR2HCRTR1KCNH2KCNA5
SCHEMBL1971402 0.89 HTR1A (0.41) TACR2HCRTR2HCRTR1SNCAHTR1A
SCHEMBL1967721 0.88 TACR2 (0.46) TACR2HCRTR2HCRTR1SNCAMC4R
SCHEMBL1969631 0.87 HTR1A (0.37) TACR2HTR1ANAMPTPKMICMT
SCHEMBL1968419 0.86 HTR1A (0.35) TACR2HTR1AGRIN2BICMT
SCHEMBL1976003 0.83 TACR2 (0.37) TACR2SNCAHTR1AMC4RMC5R
SCHEMBL1971434 0.83 HCRTR1 (0.34) TACR2HCRTR2HCRTR1HTR1A
SCHEMBL1974129 0.81 HTR6 (0.41) HCRTR2HCRTR1HTR1ARORB
SCHEMBL1971236 0.81 HTR1A (0.39) TACR2HTR1ANAMPTPKM
SCHEMBL1969556 0.80 KMT2A (0.40) TACR2HCRTR2HCRTR1HTR1A

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 TACR2 90/4885HCRTR2 1/4885HCRTR1 2/4885

“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.