SCHEMBL3300934

SCHEMBL3300934

CN(C)C(=O)c1cc2c(N3CCNCC3)cccc2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.53
BRD4 O60885 1/20 0.45
HTR3A P46098 1/20 0.42
SOS1 Q07889 1/20 0.41
RHEB Q15382 1/20 0.40

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
Hydrochloric Acid SCHEMBL3297720 0.99 HTR6 (0.52) HTR6BRD4HTR3ASOS1RHEB
SCHEMBL3297730 0.86 HTR6 (0.56) HTR6HTR3A
SCHEMBL3299101 0.85 HTR6 (0.53) HTR6HTR3ASOS1
Hydrochloric Acid SCHEMBL3304362 0.85 HTR6 (0.55) HTR6HTR3A
SCHEMBL3299796 0.85 HTR6 (0.55) HTR6HTR3A
Hydrochloric Acid SCHEMBL3300697 0.84 HTR6 (0.52) HTR6HTR3ASOS1
SCHEMBL3296297 0.80 BRD4 (0.45) HTR6BRD4RHEB
Hydrochloric Acid SCHEMBL3296557 0.80 BRD4 (0.44) BRD4RHEB
SCHEMBL3296433 0.78 HTR6 (0.60) HTR6
Hydrochloric Acid SCHEMBL3297278 0.78 HTR6 (0.59) HTR6

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
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
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

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 49/4885BRD4 48/4885HTR3A 59/4885

“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.