SCHEMBL1972598

SCHEMBL1972598

O=C(c1nccnc1-c1ccc(F)cc1)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.44
MPO P05164 6/20 0.43
SLC6A4 P31645 8/20 0.41
HTR2A P28223 4/20 0.41
TACR2 P21452 1/20 0.41
NOTUM Q6P988 2/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL2403134 0.95 MPO (0.43) HTR1AMPOSLC6A4HTR2ANOTUM
SCHEMBL2405988 0.95 HTR1A (0.43) HTR1AMPOSLC6A4HTR2ATACR2
SCHEMBL1971236 0.92 HTR1A (0.39) HTR1AMPOSLC6A4HTR2ATACR2
SCHEMBL2406957 0.92 HTR1A (0.43) HTR1AMPOSLC6A4HTR2ANOTUM
SCHEMBL1969998 0.91 CDK4 (0.51) TACR2DRD2CDK4CCND1
SCHEMBL1976906 0.91 HTR1A (0.46) HTR1AMPOSLC6A4HTR2ANOTUM
SCHEMBL1971052 0.90 MPO (0.42) HTR1AMPOSLC6A4HTR2ANOTUM
SCHEMBL2406200 0.89 HCRTR2 (0.45) HTR1AMPOSLC6A4HTR2ATACR2
SCHEMBL1969631 0.89 HTR1A (0.37) HTR1AMPOSLC6A4TACR2CDK4
SCHEMBL1971402 0.88 HTR1A (0.41) HTR1AMPOSLC6A4HTR2ATACR2

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 6 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
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 HTR1A 56/4885MPO 3915/4885SLC6A4 781/4885

“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.