SCHEMBL2406205

SCHEMBL2406205

COc1ccc(-c2cccnc2C(=O)N(CCc2c[nH]c3ccc(C)cc23)CC2CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.41
GAA P10253 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HCRTR1 O43613 3/20 0.37
HTR2C P28335 2/20 0.36
TACR2 P21452 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ICMT O60725 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 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
SCHEMBL2410323 0.94 TDO2 (0.39) HCRTR2MTNR1AMTNR1BHCRTR1HTR2C
SCHEMBL2404963 0.93 HCRTR2 (0.49) HCRTR2MTNR1AMTNR1BHTR2CALDH1A1
SCHEMBL2405442 0.93 TDO2 (0.42) HCRTR2ICMTHTR1AHTR2ASLC6A4
SCHEMBL2405011 0.88 HCRTR2 (0.43) HCRTR2MTNR1AMTNR1BHCRTR1TACR2
SCHEMBL2408199 0.88 TDO2 (0.49) HCRTR2TACR2CDK4CCND1PRKAG1
SCHEMBL2406175 0.87 PRKAG1 (0.41) HCRTR2MTNR1AMTNR1BTACR2CDK4
SCHEMBL2408416 0.86 HCRTR2 (0.45) HCRTR2MTNR1AMTNR1BHCRTR1HTR2C
SCHEMBL2407206 0.86 GAA (0.44) HCRTR2GAAMTNR1AMTNR1BHCRTR1
SCHEMBL2405583 0.86 OXTR (0.36) HCRTR2HCRTR1HTR2CTACR2HTR2A
SCHEMBL2405610 0.85 MPO (0.42) HCRTR2MTNR1AMTNR1BCDK4CCND1

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 1 patent. 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 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 HCRTR2 1/4885GAA 2389/4885MTNR1A 23/4885

“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.