SCHEMBL2408199

SCHEMBL2408199

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.49
HTR1A P08908 2/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
HCRTR2 O43614 1/20 0.37
AKT1 P31749 1/20 0.37
TACR2 P21452 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL2405442 0.94 TDO2 (0.42) TDO2HTR1AHCRTR2SLC6A4
SCHEMBL2405011 0.93 HCRTR2 (0.43) TDO2PRKAG1PRKAA1PRKAB1CDK4
SCHEMBL2410323 0.93 TDO2 (0.39) TDO2PRKAG1PRKAA1PRKAB1CDK4
SCHEMBL2406175 0.92 PRKAG1 (0.41) TDO2PRKAG1PRKAA1PRKAB1CDK4
SCHEMBL2404963 0.88 HCRTR2 (0.49) HTR1AHCRTR2
SCHEMBL2406205 0.88 HCRTR2 (0.41) TDO2HTR1APRKAG1PRKAA1PRKAB1
SCHEMBL2406487 0.87 HTR2A (0.39) TDO2PRKAG1PRKAA1PRKAB1CDK4
SCHEMBL2406721 0.87 MPO (0.36) TDO2HCRTR2TACR2SLC6A4
SCHEMBL2405649 0.86 HTR6 (0.43) HTR1ACDK4CCND1HCRTR2
SCHEMBL2404930 0.85 HTR1A (0.42) HTR1ACDK4CCND1TACR2SLC6A4

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 TDO2 3567/4885HTR1A 56/4885PRKAG1 3397/4885

“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.