SCHEMBL1969998

SCHEMBL1969998

O=C(c1nccnc1-c1ccc(F)cc1)N(CCc1c[nH]c2ccccc12)CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.51
CCND1 P24385 9/20 0.51
TACR2 P21452 3/20 0.50
NAMPT P43490 1/20 0.45
CDK2 P24941 3/20 0.44
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
SIRT1 Q96EB6 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL1968625 0.93 TACR2 (0.53) CDK4CCND1TACR2CDK2MC4R
SCHEMBL1972598 0.91 HTR1A (0.44) CDK4CCND1TACR2DRD2
SCHEMBL2405988 0.90 HTR1A (0.43) TACR2DRD2
SCHEMBL2406656 0.90 GPR84 (0.44) CDK4CCND1TACR2NAMPTCDK2
SCHEMBL1971236 0.89 HTR1A (0.39) CDK4CCND1TACR2NAMPT
SCHEMBL1974842 0.88 TACR2 (0.46) CDK4CCND1TACR2CDK2MC4R
SCHEMBL1971560 0.88 TACR2 (0.46) CDK4CCND1TACR2NAMPTCDK2
SCHEMBL1974149 0.87 CDK4 (0.56) CDK4CCND1TACR2NAMPTCDK2
SCHEMBL1967482 0.87 TACR2 (0.48) CDK4CCND1TACR2CDK2MC4R
SCHEMBL2403134 0.86 MPO (0.43)

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 CDK4 3031/4885CCND1 3178/4885TACR2 90/4885

“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.