SCHEMBL3303737

SCHEMBL3303737

NC(=O)c1cc2c(N3CCNCC3)cccc2n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.44
HTR6 P50406 7/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
LMNA P02545 1/20 0.43
MAP3K14 Q99558 1/20 0.43
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F10 P00742 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
DPP4 P27487 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR2 P41597 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL3300925 0.88 HTR1A (0.44) HTR6DRD2LMNAHTR1AHTR2A
SCHEMBL3297730 0.87 HTR6 (0.56) HTR6LMNAHTR1AHTR2AALDH1A1
Hydrochloric Acid SCHEMBL3299238 0.87 HTR1A (0.43) HTR6DRD2LMNAHTR1AHTR2A
Hydrochloric Acid SCHEMBL3304362 0.86 HTR6 (0.55) HTR6LMNAHTR1AHTR2AALDH1A1
SCHEMBL3296433 0.84 HTR6 (0.60) HTR6DRD2HTR1AHTR2AF10
Hydrochloric Acid SCHEMBL3297278 0.83 HTR6 (0.59) HTR6DRD2HTR1AHTR2AF10
SCHEMBL3299174 0.82 HTR3A (0.47) HTR6DRD2LMNAF10MAPT
Hydrochloric Acid SCHEMBL3294093 0.82 HTR3A (0.46) HTR6DRD2LMNAF10MAPT
SCHEMBL3295170 0.81 LMNA (0.42) LMNAMAP3K14ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3300426 0.80 LMNA (0.41) LMNAMAP3K14ALDH1A1MEN1KMT2A

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 ADRB1 44/4885HTR6 49/4885DRD2 104/4885

“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.