SCHEMBL2406175

SCHEMBL2406175

COc1ccc(-c2cccnc2C(=O)N(CCc2c[nH]c3cc(Cl)ccc23)CC2CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
TDO2 P48775 2/20 0.38
HCRTR2 O43614 2/20 0.37
SLC6A4 P31645 1/20 0.36
TACR2 P21452 1/20 0.36
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
F2 P00734 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK2 P24941 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CCKBR P32239 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL2405011 0.92 HCRTR2 (0.43) PRKAG1PRKAA1PRKAB1TDO2HCRTR2
SCHEMBL2410323 0.92 TDO2 (0.39) PRKAG1PRKAA1PRKAB1TDO2HCRTR2
SCHEMBL2408199 0.92 TDO2 (0.49) PRKAG1PRKAA1PRKAB1TDO2HCRTR2
SCHEMBL2404963 0.87 HCRTR2 (0.49) HCRTR2MTNR1AMTNR1B
SCHEMBL2405442 0.87 TDO2 (0.42) TDO2HCRTR2SLC6A4
SCHEMBL2406205 0.87 HCRTR2 (0.41) PRKAG1PRKAA1PRKAB1TDO2HCRTR2
SCHEMBL2405315 0.85 HCRTR2 (0.42) PRKAG1PRKAA1PRKAB1TDO2HCRTR2
SCHEMBL2405583 0.84 OXTR (0.36) HCRTR2TACR2SYK
SCHEMBL2405649 0.84 HTR6 (0.43) HCRTR2CDK4CCND1MTNR1AMTNR1B
SCHEMBL2406487 0.83 HTR2A (0.39) PRKAG1PRKAA1PRKAB1TDO2HCRTR2

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 2 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

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 PRKAG1 3397/4885PRKAA1 3589/4885PRKAB1 3004/4885

“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.