SCHEMBL2073846

SCHEMBL2073846

COc1cccc2[nH]cc(C(C3CCCCC3)C3C(=O)OC(C)(C)OC3=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
HCRTR1 O43613 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL3214908 0.71 CDC7 (0.42)
SCHEMBL13451360 0.71 HTR2A (0.38) HTR2AHTR2CHTR2BHTR6MTNR1A
Ammonia Solution, Strong SCHEMBL5199276 0.70 HTR2A (0.43) HTR2AHTR2CHTR2BHTR6MTNR1A
SCHEMBL5230871 0.70 HTR2A (0.45) HTR2AHTR2CHTR2BHTR6MTNR1A
SCHEMBL2071508 0.70 HTR2A (0.43) HTR2AHTR2CHTR2BHTR6MTNR1A
SCHEMBL2071662 0.69 MTNR1A (0.42) HTR2AHTR2CHTR2BHTR6MTNR1A
SCHEMBL2072826 0.66 SIRT1 (0.48) HTR2AHTR2CHTR2BHTR6ABCG2
SCHEMBL25990382 0.66 HTR2A (0.53) HTR2AHTR2CHTR2BHTR6ABCG2
SCHEMBL3160102 0.65 MTNR1A (0.40) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL13451357 0.65 HTR2A (0.35) 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 7 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-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.