SCHEMBL2302189

SCHEMBL2302189

CNC(CCc1ccccc1)c1ccc2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.47
IDO1 P14902 1/20 0.41
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30279969 0.75 KCNH2 (0.51) KMT2ATSHR
SCHEMBL13157365 0.73 HTR2A (0.58) HTR1BKMT2ACTNNB1WNT3ACCNT1
SCHEMBL2302187 0.73 HTR2A (0.58) HTR1BKMT2ACTNNB1WNT3ACCNT1
SCHEMBL12426692 0.73 HTR2A (0.58) HTR1BKMT2ACTNNB1WNT3ACCNT1
SCHEMBL2074391 0.72 CYP2D6 (0.45) KMT2ASMN1; SMN2
SCHEMBL4440636 0.72 HTR1B (0.49) HTR1BIDO1CTNNB1WNT3A
SCHEMBL4438088 0.72 IDO1 (0.46) HTR1BIDO1CTNNB1WNT3ACCNT1
SCHEMBL25276454 0.71 HTR1B (0.73) HTR1BUSP2TSHR
SCHEMBL29016973 0.71 HTR1B (0.73) HTR1BUSP2TSHR
SCHEMBL25281414 0.71 HTR1B (0.73) HTR1BUSP2TSHR

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
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP claimed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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 (2 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR HTR1B 98/4885IDO1 1/4885KMT2A 743/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR HTR1B 98/4885IDO1 1/4885KMT2A 743/4885

“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.