SCHEMBL3160102

SCHEMBL3160102

CNC(=O)CC(c1c[nH]c2cccc(OC)c12)C1CCCCC1.CNCCC(c1c[nH]c2cccc(OC)c12)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR2A P28223 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTR1A P08908 1/20 0.35
ATM Q13315 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 0.94 MTNR1A (0.42) MTNR1AMTNR1BHTR2AL3MBTL1ALDH1A1
SCHEMBL2071508 0.91 HTR2A (0.43) MTNR1AMTNR1BHTR2AALDH1A1HTR2C
Ammonia Solution, Strong SCHEMBL5199276 0.79 HTR2A (0.43) MTNR1AMTNR1BHTR2AALDH1A1HTR2C
SCHEMBL13451646 0.77 SLC6A2 (0.39) HTR2AALDH1A1HTR1AKDM4EMAPT
SCHEMBL2073706 0.76 HDAC3 (0.44) MTNR1AMTNR1BHTR2AALDH1A1HPGD
SCHEMBL3160107 0.75 MTNR1A (0.33) MTNR1AMTNR1BHTR2AL3MBTL1HTR2C
SCHEMBL3151911 0.73 SLC6A2 (0.44) MTNR1AMTNR1BHTR2AALDH1A1HPGD
SCHEMBL1714010 0.73 MTNR1A (0.46) MTNR1AMTNR1BHTR2AL3MBTL1ALDH1A1
SCHEMBL1714014 0.73 MTNR1A (0.46) MTNR1AMTNR1BHTR2AL3MBTL1ALDH1A1
SCHEMBL2074732 0.72 CYP2D6 (0.57) MTNR1AHTR2AALDH1A1HTR2CHTR2B

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.