SCHEMBL2071508

SCHEMBL2071508

CNCCC(c1c[nH]c2cccc(OC)c12)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SLC6A4 P31645 3/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR6 P50406 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1A P08908 3/20 0.38
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3160102 0.91 MTNR1A (0.40) HTR2AHTR2CHTR2BMTNR1AMTNR1B
Ammonia Solution, Strong SCHEMBL5199276 0.88 HTR2A (0.43) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL2073706 0.83 HDAC3 (0.44) HTR2AMTNR1AMTNR1BSLC6A4CYP2D6
SCHEMBL13451646 0.83 SLC6A2 (0.39) HTR2ASLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL2071662 0.83 MTNR1A (0.42) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL2074732 0.80 CYP2D6 (0.57) HTR2AHTR2CHTR2BMTNR1ASLC6A4
SCHEMBL3160107 0.76 MTNR1A (0.33) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL1714535 0.75 SLC6A4 (0.64) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL2073643 0.75 SLC6A4 (0.64) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL1714532 0.75 SLC6A4 (0.64) HTR2AHTR2CHTR2BMTNR1AMTNR1B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-1756054-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 US disclosed
WO-2005118539-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A HTR2A 17/4885HTR2C 8/4885HTR2B 16/4885

“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.