SCHEMBL4891453

SCHEMBL4891453

COC(=O)CC(c1ccc(OC)cc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ESR1 P03372 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ APP P05067 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ AKR1C3 P42330 5/20 0.40
▸ AKR1C2 P52895 5/20 0.40

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
SCHEMBL12427662 0.90 MTNR1A (0.48) BACE1KMT2AMEN1POLBMAPK1
SCHEMBL2300720 0.88 BACE1 (0.50) BACE1KMT2AMEN1POLBMAPK1
SCHEMBL2300998 0.88 BACE1 (0.52) BACE1KMT2AMEN1POLBMAPK1
SCHEMBL2302247 0.82 PNP (0.51) BACE1TSHRHPGDKDM4EALDH1A1
SCHEMBL12426919 0.82 ALDH1A1 (0.48) BACE1POLBAPPMAPTGAA
SCHEMBL12426669 0.79 SLC6A2 (0.62) BACE1KMT2AMEN1POLBMAPK1
SCHEMBL2300663 0.78 MTNR1A (0.47) BACE1KMT2AMEN1POLBMAPK1
Hydrochloric Acid SCHEMBL3103009 0.78 SLC6A2 (0.60) BACE1KMT2AMEN1POLBMAPK1
SCHEMBL1429119 0.77 KMT2A (0.60) KMT2AMEN1GAALMNAL3MBTL1
SCHEMBL2301872 0.73 BACE1 (0.52) BACE1ESR1MAOAGAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 — — EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO 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
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 BACE1 3229/4885KMT2A 743/4885MEN1 2532/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR BACE1 3229/4885KMT2A 743/4885MEN1 2532/4885

“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.

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