SCHEMBL2303379

SCHEMBL2303379

CS(=O)(=O)OCC(c1ccccc1)c1ccc2[nH]c(C#N)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ADRB2 P07550 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CNR1 P21554 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 2/20 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
SCHEMBL13157481 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2302795 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2304682 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2304694 0.76 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL7516303 0.75 CA12 (0.46) CYP2D6SMN1; SMN2CYP1A2CYP2C19TDP1
SCHEMBL11044362 0.68 TRPA1 (0.37) CYP2D6ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3098585 0.68 IMPDH2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL19085761 0.65 KDM4E (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL188005 0.65 CYP19A1 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL17947372 0.65 ESR1 (0.41) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1

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 SLC6A2 1181/4885SLC6A4 597/4885SLC6A3 360/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A2 1181/4885SLC6A4 597/4885SLC6A3 360/4885

“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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