SCHEMBL2404963

SCHEMBL2404963

COc1ccc2[nH]cc(CCN(CC3CC3)C(=O)c3ncccc3-c3ccc(OC)nc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.49
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 6/20 0.42
CYP2D6 P10635 5/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 2/20 0.42
CYP2C9 P11712 2/20 0.42
HTR1A P08908 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR1F P30939 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42

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 0.94 HCRTR2 (0.43) HCRTR2KMT2ACYP1A2CYP2D6MTNR1A
SCHEMBL2405442 0.93 TDO2 (0.42) HCRTR2HTR1AHTR2A
SCHEMBL2406205 0.93 HCRTR2 (0.41) HCRTR2KMT2AMTNR1AMTNR1BHTR1A
SCHEMBL2408199 0.88 TDO2 (0.49) HCRTR2HTR1A
SCHEMBL2410323 0.88 TDO2 (0.39) HCRTR2MTNR1AMTNR1BHTR2C
SCHEMBL2406175 0.87 PRKAG1 (0.41) HCRTR2MTNR1AMTNR1B
SCHEMBL2405186 0.85 HCRTR2 (0.53) HCRTR2KMT2ACYP1A2CYP2D6MTNR1A
SCHEMBL2409520 0.85 HTR1A (0.40) HCRTR2KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2405583 0.84 OXTR (0.36) HCRTR2HTR2AHTR2CHTR6
SCHEMBL2405649 0.84 HTR6 (0.43) HCRTR2MTNR1AMTNR1BHTR1AHTR2A

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 HCRTR2 1/4885KMT2A 253/4885CYP1A2 1070/4885

“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.