SCHEMBL1969631

SCHEMBL1969631

O=C(c1nccnc1-c1ccc(F)cc1)N(CCc1c[nH]c2cc(F)c(Cl)cc12)CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.37
TACR2 P21452 2/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
SLC6A4 P31645 7/20 0.35
ICMT O60725 1/20 0.34
NAMPT P43490 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
MPO P05164 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL1971236 0.93 HTR1A (0.39) HTR1ATACR2CDK4CCND1SLC6A4
SCHEMBL1968419 0.91 HTR1A (0.35) HTR1ATACR2SLC6A4ICMT
SCHEMBL1972598 0.89 HTR1A (0.44) HTR1ATACR2CDK4CCND1SLC6A4
SCHEMBL1971434 0.89 HCRTR1 (0.34) HTR1ATACR2SLC6A4GPR84
SCHEMBL1973734 0.87 TACR2 (0.35) HTR1ATACR2ICMTNAMPTPKM
SCHEMBL1969998 0.86 CDK4 (0.51) TACR2CDK4CCND1NAMPTGPR84
SCHEMBL1976003 0.85 TACR2 (0.37) HTR1ATACR2CDK4CCND1SLC6A4
SCHEMBL2403134 0.85 MPO (0.43) HTR1ASLC6A4MPO
SCHEMBL2406656 0.84 GPR84 (0.44) HTR1ATACR2CDK4CCND1NAMPT
SCHEMBL2405988 0.84 HTR1A (0.43) HTR1ATACR2SLC6A4MPO

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 HTR1A 56/4885TACR2 90/4885CDK4 3031/4885

“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.