SCHEMBL3299796

SCHEMBL3299796

O=C(c1cc2c(N3CCNCC3)cccc2n1Cc1ccccc1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.55
HTR3A P46098 2/20 0.44
REN P00797 1/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CNR2 P34972 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
NCF1 P14598 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL3297730 0.88 HTR6 (0.56) HTR6HTR3ATSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL3304362 0.87 HTR6 (0.55) HTR6HTR3ATSHRALDH1A1LMNA
SCHEMBL3299101 0.85 HTR6 (0.53) HTR6HTR3A
SCHEMBL3300934 0.85 HTR6 (0.53) HTR6HTR3A
Hydrochloric Acid SCHEMBL3300697 0.84 HTR6 (0.52) HTR6HTR3AALDH1A1LMNA
Hydrochloric Acid SCHEMBL3297720 0.84 HTR6 (0.52) HTR6HTR3AALDH1A1LMNA
SCHEMBL3296433 0.80 HTR6 (0.60) HTR6HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL3297278 0.79 HTR6 (0.59) HTR6HTR1AHTR2AHTR7
SCHEMBL3299174 0.79 HTR3A (0.47) HTR6HTR3ALMNAPTGS1PTGS2
Hydrochloric Acid SCHEMBL3294093 0.78 HTR3A (0.46) HTR6HTR3ALMNAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 49/4885HTR3A 59/4885REN 154/4885

“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.