SCHEMBL1971969

SCHEMBL1971969

COc1ccc(F)c(-c2nccnc2C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.46
CCND1 P24385 7/20 0.46
TACR2 P21452 2/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
CDK2 P24941 1/20 0.40
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL1965373 0.92 KMT2A (0.42) CDK4CCND1TACR2KMT2AMEN1
SCHEMBL1974095 0.92 KMT2A (0.43) KMT2AMAPTHTR1AGPR84
SCHEMBL1969556 0.90 KMT2A (0.40) CDK4CCND1TACR2KMT2AHCRTR1
SCHEMBL1969456 0.90 HTR6 (0.41) CDK4CCND1TACR2KMT2AHTR1A
SCHEMBL1969868 0.88 CDK4 (0.51) CDK4CCND1TACR2KMT2AMEN1
SCHEMBL2409802 0.85 HTR6 (0.46) CDK4CCND1TACR2KMT2AMEN1
SCHEMBL2403866 0.85 KMT2A (0.50) KMT2AMEN1HCRTR1HCRTR2HTR1A
SCHEMBL1971560 0.84 TACR2 (0.46) CDK4CCND1TACR2CDK2MC4R
SCHEMBL1969998 0.82 CDK4 (0.51) CDK4CCND1TACR2CDK2MC4R
SCHEMBL2409960 0.82 HTR1A (0.43) CDK4CCND1KMT2AMEN1MAPT

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
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.