SCHEMBL2410229

SCHEMBL2410229

Cc1ccc2[nH]cc(CCN(CC3CC3)C(=O)c3nccnc3-c3ccc(C)c(C)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR2 P21452 2/20 0.39
GAA P10253 1/20 0.39
HTR1D P28221 2/20 0.38
HTR2A P28223 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 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
SCHEMBL2406004 0.93 TACR2 (0.39) MTNR1AMTNR1BMEN1KMT2ATACR2
SCHEMBL2406957 0.92 HTR1A (0.43) MTNR1AMTNR1BHTR2AHTR1ASLC6A4
SCHEMBL1967482 0.91 TACR2 (0.48) MEN1KMT2ATACR2CDK4CCND1
SCHEMBL2405957 0.91 HCRTR2 (0.47) MTNR1AMTNR1BMEN1KMT2AHTR1D
SCHEMBL2405302 0.90 TACR2 (0.43) MTNR1AMTNR1BMEN1KMT2ATACR2
SCHEMBL2405431 0.87 SLC6A4 (0.39) MTNR1AMTNR1BTACR2HTR2AHTR2C
SCHEMBL2403399 0.87 HTR1A (0.41) TACR2HTR2AHTR1ADRD2SLC6A4
SCHEMBL2403134 0.87 MPO (0.43) MTNR1AMTNR1BHTR2AHTR1ASLC6A4
SCHEMBL1976906 0.86 HTR1A (0.46) MTNR1AMTNR1BHTR2AHTR1ASLC6A4
SCHEMBL2404985 0.86 HTR6 (0.43) MTNR1AMTNR1BMEN1KMT2ATACR2

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 MTNR1A 23/4885MTNR1B 22/4885MEN1 525/4885

“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.