SCHEMBL3160107

SCHEMBL3160107

CNC(=O)C(C)(CCC(c1c[nH]c2cccc(OC)c12)C1CCCCC1)C(N)(c1c[nH]c2cccc(OC)c12)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
NMBR P28336 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2071662 0.76 MTNR1A (0.42) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL2071508 0.76 HTR2A (0.43) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL3160102 0.75 MTNR1A (0.40) MTNR1AMTNR1BHTR2AHTR2CHTR2B
Ammonia Solution, Strong SCHEMBL5199276 0.73 HTR2A (0.43) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL5230865 0.70 HTR2A (0.41) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL5230871 0.67 HTR2A (0.45) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL5202211 0.66 MTNR1A (0.52) MTNR1AMTNR1BHTR2ASCN5ASCN2A
SCHEMBL13451646 0.64 SLC6A2 (0.39) HTR2ANMBR
SCHEMBL2073706 0.62 HDAC3 (0.44) MTNR1AMTNR1BHTR2A
SCHEMBL1714014 0.60 MTNR1A (0.46) MTNR1AMTNR1BHTR2AL3MBTL1

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
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A MTNR1A 40/4885MTNR1B 56/4885HTR2A 17/4885

“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.