SCHEMBL1976170

SCHEMBL1976170

Cc1ccc2[nH]cc(CCNCC3CC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
HTR2A P28223 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTR1A P08908 1/20 0.56
HTR7 P34969 1/20 0.56
HTR6 P50406 1/20 0.56
HTR1D P28221 1/20 0.56
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
GFER P55789 1/20 0.51
MPO P05164 3/20 0.50
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SLC6A4 P31645 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL1971950 0.90 HTR2A (0.56) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL1970036 0.84 MPO (0.70) MTNR1AMTNR1BHTR2AHTR1AHTR7
SCHEMBL2406261 0.84 MTNR1A (0.60) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL1968662 0.84 HTR2A (0.71) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL1968351 0.81 BCHE (0.67) MTNR1AHTR2AMEN1KMT2AHTR1A
SCHEMBL5149801 0.80 MTNR1A (0.70) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL10119730 0.80 SLC6A4 (0.51) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL9559256 0.79 MTNR1A (0.68) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL11935204 0.79 HTR2A (0.64) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL4303662 0.79 KDM4E (0.70) MTNR1AMTNR1BHTR2AMEN1KMT2A

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 3 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 disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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 22/4885HTR2A 46/4885

“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.