SCHEMBL3300081

SCHEMBL3300081

NC(=O)c1[nH]c2c(C3CCNCC3)cccc2c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ GABRB2 P47870 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ SLC6A2 P23975 3/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ PDK2 Q15119 2/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ HRH1 P35367 2/20 0.36
▸ MAP2 P11137 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ ADRB2 P07550 1/20 0.35

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
SCHEMBL3296501 0.78 HTR6 (0.51) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4254613 0.78 HTR6 (0.51) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL23111536 0.73 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRB2HTR6
SCHEMBL20400460 0.72 IKBKB (0.46) GABRA1IKBKBCHUKGABRB2SLC6A2
SCHEMBL7745979 0.71 KDM4E (0.57) MAP2KDM4EALDH1A1
SCHEMBL19284594 0.70 PARP1 (0.51) IKBKBCHUKHTR6PARP1HTR2C
SCHEMBL19284556 0.70 IKBKB (0.52) IKBKBCHUKHTR6PARP1HTR2C
SCHEMBL30735793 0.70 IKBKB (0.52) IKBKBCHUKHTR6PARP1HTR2C
SCHEMBL8598701 0.69 GABRA1 (0.44) GABRA1GABRG2GABRB3IKBKBCHUK
Carbamic Acid SCHEMBL27541477 0.68 SLC6A2 (0.55) IKBKBCHUKHTR6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084131-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-05 — — EP claimed
WO-2008055808-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 — — WO claimed
US-7741326-B2 for enhancing cognitive memory in an Alzheimer's patient; 5-HT2-selective and 5-HT6 selective ligands ROCHE PALO ALTO LLC (US) 2010-06-22 — — US disclosed
US-7741326-B2 for enhancing cognitive memory in an Alzheimer's patient; 5-HT2-selective and 5-HT6 selective ligands ROCHE PALO ALTO LLC (US) 2010-06-22 — — US disclosed
US-7741326-B2 for enhancing cognitive memory in an Alzheimer's patient; 5-HT2-selective and 5-HT6 selective ligands ROCHE PALO ALTO LLC (US) 2010-06-22 — — US disclosed
EP-2084131-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-05 — — EP disclosed
US-20080146587-A1 Indole and benzofuran 2-carboxamide derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 — — US disclosed
US-20080146587-A1 Indole and benzofuran 2-carboxamide derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 — — US disclosed
US-20080146587-A1 Indole and benzofuran 2-carboxamide derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 — — US disclosed
WO-2008055808-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 — — WO disclosed
WO-2008055808-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 — — WO 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 (1 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-20080146587-A1 Indole and benzofuran 2-carboxamide derivatives and uses thereof AR, CNR2, CNR1 GABRA1 429/4885GABRG2 964/4885GABRB3 652/4885

“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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