SCHEMBL1790024

SCHEMBL1790024

CC(=O)c1ccc2c(c1)CCNCC2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
MELK Q14680 2/20 0.54
SYK P43405 4/20 0.49
SLC2A1 P11166 1/20 0.49
HSD17B1 P14061 1/20 0.49
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
HTR2A P28223 1/20 0.48
AURKB Q96GD4 3/20 0.48
INCENP Q9NQS7 3/20 0.48
ALDH1A1 P00352 1/20 0.47
ADCY6 O43306 1/20 0.45
ADCY3 O60266 1/20 0.45
ADCY9 O60503 1/20 0.45
ADCY5 O95622 1/20 0.45
ADCY8 P40145 1/20 0.45
ADCY7 P51828 1/20 0.45
ADCY2 Q08462 1/20 0.45

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
SCHEMBL1013707 0.89 NPC1 (0.53) NPC1RAB9AMAPTMELKSYK
SCHEMBL3248558 0.89 MELK (0.56) NPC1RAB9AMAPTMELKSLC2A1
Hydrochloric Acid SCHEMBL3118453 0.88 NPC1 (0.51) NPC1RAB9AMAPTMELKSYK
SCHEMBL29793289 0.86 NPC1 (0.67) NPC1RAB9AMAPTHSD17B1ALDH1A1
SCHEMBL21584068 0.86 NPC1 (0.67) NPC1RAB9AMAPTHSD17B1ALDH1A1
SCHEMBL3440731 0.83 ALDH1A1 (0.69) MAPTMELKSLC2A1HTR2CHTR2B
SCHEMBL1466022 0.82 NPC1 (0.67) NPC1RAB9AMAPTHSD17B1ALDH1A1
SCHEMBL31048932 0.82 NPC1 (0.67) NPC1RAB9AMAPTHSD17B1ALDH1A1
SCHEMBL33121 0.82 ALDH1A1 (0.68) NPC1RAB9AMAPTHSD17B1ALDH1A1
Hydrochloric Acid SCHEMBL7560518 0.81 ALDH1A1 (0.67) MAPTMELKSLC2A1HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 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 (3 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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 NPC1 2143/4885RAB9A 1241/4885MAPT 423/4885
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 NPC1 1764/4885RAB9A 2688/4885MAPT 3598/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B NPC1 744/4885RAB9A 1174/4885MAPT 166/4885

“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.