SCHEMBL2406487

SCHEMBL2406487

COc1ccc(-c2cccnc2C(=O)N(CCc2c[nH]c3cccc(F)c23)CC2CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TDO2 P48775 1/20 0.35
HCRTR2 O43614 3/20 0.33
TACR2 P21452 1/20 0.33
ERN1 O75460 1/20 0.33
HTR6 P50406 1/20 0.33
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
HCRTR1 O43613 2/20 0.33
FAAH O00519 1/20 0.33
AVPR2 P30518 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL2406721 0.88 MPO (0.36) TDO2HCRTR2TACR2HTR6OXTR
SCHEMBL2408199 0.87 TDO2 (0.49) TDO2HCRTR2TACR2PRKAG1PRKAA1
SCHEMBL2405442 0.87 TDO2 (0.42) HTR2ATDO2HCRTR2
SCHEMBL2405133 0.86 HCRTR1 (0.42) HTR2AHTR2CHTR2BHCRTR2HCRTR1
SCHEMBL2404963 0.84 HCRTR2 (0.49) HTR2AHTR2CHTR2BHCRTR2HTR6
SCHEMBL2406205 0.84 HCRTR2 (0.41) HTR2AHTR2CHTR2BTDO2HCRTR2
SCHEMBL2405011 0.84 HCRTR2 (0.43) HTR2ATDO2HCRTR2TACR2HTR6
SCHEMBL2410323 0.84 TDO2 (0.39) HTR2CTDO2HCRTR2TACR2OXTR
SCHEMBL2406175 0.83 PRKAG1 (0.41) TDO2HCRTR2TACR2PRKAG1PRKAA1
SCHEMBL2405583 0.83 OXTR (0.36) HTR2AHTR2CHCRTR2TACR2HTR6

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 HTR2A 46/4885HTR2C 80/4885HTR2B 35/4885

“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.