SCHEMBL2301836

SCHEMBL2301836

CNC(=O)CC(c1cccnc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CCNC P24863 3/20 0.41
▸ CDK8 P49336 3/20 0.41
▸ CDK19 Q9BWU1 2/20 0.41
▸ ATR Q13535 1/20 0.39
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13157430 0.87 PDE4D (0.46) KCNA5BACE1PDE4DLMNAHPGD
SCHEMBL2303019 0.84 CCNC (0.48) BACE1PDE4DLMNACCNCCDK8
SCHEMBL2301774 0.82 BACE1 (0.47) BACE1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL13182137 0.81 PDE4D (0.41) BACE1PDE4DLMNASMN1; SMN2CCNC
SCHEMBL2302923 0.81 SLC6A2 (0.61) BACE1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL2301872 0.81 BACE1 (0.52) BACE1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL2301764 0.80 BACE1 (0.43) BACE1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL2300663 0.80 MTNR1A (0.47) BACE1LMNASMN1; SMN2CYP3A4SYK
SCHEMBL27742060 0.79 SLC6A2 (0.41) KCNA5BACE1PDE4DSMN1; SMN2CCNC
SCHEMBL2300720 0.79 BACE1 (0.50) BACE1LMNAHPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101316818-B 3-amino-1-arylpropyl indoles and aza-substituted indoles HOFFMANN LA ROCHE 2011-08-31 — — CN disclosed
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
CN-101316818-A 3-amino-1-arylpropyl indoles and aza-substituted indoles HOFFMANN LA ROCHE (CH) 2008-12-03 — — CN 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
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 KCNA5 1977/4885BACE1 3229/4885PDE4D 646/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR KCNA5 1977/4885BACE1 3229/4885PDE4D 646/4885

“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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