SCHEMBL2303939

SCHEMBL2303939

N#Cc1c[nH]c2c(F)cc(C(CCO)c3ccccc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ IMPDH1 P20839 1/20 0.35
▸ SLC6A2 P23975 5/20 0.34
▸ SLC6A4 P31645 5/20 0.34
▸ NOS2 P35228 5/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ HAT1 O14929 3/20 0.31
▸ EP300 Q09472 3/20 0.31
▸ PNP P00491 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31

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
SCHEMBL2302021 0.86 DYRK1A (0.47) IMPDH2DYRK1AIMPDH1SLC6A2SLC6A4
SCHEMBL2305393 0.85 HTR2A (0.47) DYRK1ASLC6A2SLC6A4NOS2CYP2D6
SCHEMBL2302754 0.85 HTR2A (0.47) DYRK1ASLC6A2SLC6A4NOS2CYP2D6
SCHEMBL2305362 0.85 HTR2A (0.47) DYRK1ASLC6A2SLC6A4NOS2CYP2D6
SCHEMBL2357362 0.79 IMPDH2 (0.48) IMPDH2IMPDH1SLC6A2SLC6A4CYP2D6
SCHEMBL2303398 0.79 MAPT (0.39) SLC6A2SLC6A4NOS2CYP2D6
SCHEMBL2300728 0.78 IMPDH2 (0.50) IMPDH2IMPDH1SLC6A2SLC6A4CYP2D6
SCHEMBL2303132 0.71 HTR2A (0.47) DYRK1ASLC6A2SLC6A4NOS2CYP2D6
SCHEMBL2305891 0.70 SLC6A2 (0.47) DYRK1ASLC6A2SLC6A4NOS2CYP2D6
SCHEMBL2300563 0.69 IMPDH2 (0.48) IMPDH2IMPDH1SLC6A2SLC6A4NOS2

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 13 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
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 IMPDH2 720/4885DYRK1A 357/4885IMPDH1 369/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR IMPDH2 720/4885DYRK1A 357/4885IMPDH1 369/4885

“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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