SCHEMBL3296501

SCHEMBL3296501

NC(=O)c1[nH]c2c(N3CCNCC3)cccc2c1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.51
▸ HTR1A P08908 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR5A P47898 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4254613 1.00 HTR6 (0.51) HTR6HTR1AHTR3EHTR3BCYP1A2
SCHEMBL3296452 0.79 HTR6 (0.48) HTR6HTR1AHTR3EHTR3BCYP1A2
SCHEMBL3300081 0.78 GABRA1 (0.42) HTR6HTR1AKDM4EALDH1A1SLC6A4
SCHEMBL13298381 0.77 HTR6 (0.50) HTR6HTR1AHTR3EHTR3BCYP1A2
SCHEMBL9272779 0.72 HTR6 (0.52) HTR6HTR1AHTR3EHTR3BCYP1A2
SCHEMBL7745979 0.71 KDM4E (0.57) CYP1A2TSHRKDM4EALDH1A1HPGD
SCHEMBL3297914 0.70 HTR6 (0.55) HTR6HTR1AHTR3EHTR3BCYP1A2
SCHEMBL3300141 0.68 HTR6 (0.44) HTR6HTR1ANCF1HTR3AKDM4E
SCHEMBL23632364 0.67 NPC1 (0.61) HTR6HSD17B10KDM4EALDH1A1
SCHEMBL28336625 0.67 HTR6 (0.58) HTR6HTR1AHTR3EHTR3BCYP1A2

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 HTR6 49/4885HTR1A 20/4885HTR3E 105/4885

“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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