SCHEMBL543661

SCHEMBL543661

O=C1N=C2SCCN2C1(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 2/20 0.34
POLB P06746 3/20 0.33
CNR1 P21554 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.31
DAO P14920 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL544166 0.86 HTT (0.36) NPC1GPR55CNR1ALDH1A1MAPT
SCHEMBL11164883 0.63 CES2 (0.38) NPC1GAANPSR1GPR55POLB
SCHEMBL11127404 0.61 CNR1 (0.34) CNR1
SCHEMBL637893 0.60 ALDH1A1 (0.42) NPSR1ALDH1A1RAB9A
SCHEMBL29003525 0.58 ALDH1A1 (0.39) POLBALDH1A1MAPTRAB9ACYP3A4
SCHEMBL11127937 0.57 CNR1 (0.43) CNR1ALDH1A1TSHRMAPT
SCHEMBL15681096 0.55 SIGMAR1 (0.45)
SCHEMBL28914608 0.53 OPRL1 (0.43)
SCHEMBL2794745 0.52 TACR1 (0.55) POLBALDH1A1MAPT
SCHEMBL28801601 0.52 ALDH1A1 (0.61) NPC1POLBALDH1A1MAPTRAB9A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388000-B1 Neuroprotectant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2016-04-06 EP disclosed
EP-2077836-B1 AMYLOID BETA DEPOSITION INHIBITOR CONTAINING SPIRO-HETEROCYCLIC COMPOUND ZENYAKU KOGYO KK (JP) 2016-03-09 EP disclosed
EP-2388001-B1 Age retardant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2015-12-16 EP disclosed
US-9089561-B2 Methods for treating depression, neurodegeneration, inhibiting amyloid β deposition, delaying senescence, and extending life spans with heterocyclic compounds ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-07-28 US disclosed
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2014-06-19 US disclosed
EP-2388002-B1 Antidepressant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2013-03-13 EP disclosed
WO-2012094612-A1 METHOD OF TREATING ESSENTIAL TREMOR ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-07-12 WO disclosed
WO-2012094615-A2 USE OF CAV3.1 SELECTIVE T-TYPE CALCIUM CHANNEL ANTAGONISTS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-07-12 WO disclosed
EP-2429522-A2 METHOD OF DECREASING UBIQUITYLATED PROTEIN LEVELS The Regents of the University of California Office of Technology Transfer (US) 2012-03-21 EP disclosed
EP-2419100-A2 METHOD OF DECREASING PRO-ADAM10 SECRETASE AND/OR BETA SECRETASE LEVELS Green, Kim Nicholas (US) 2012-02-22 EP disclosed
WO-2010115078-A2 METHOD OF TREATING COGNITIVE IMPAIRMENT WEBER ECKARD (US) 2010-10-07 WO disclosed
US-20100256173-A1 Method of Treating Cognitive Impairment ZENYAKU KOGYO CO., LTD. (JP) 2010-10-07 US disclosed
WO-2010077852-A2 METHOD OF INDUCING CLEAVAGE OF AMYLOID PRECURSOR PROTEIN TO FORM A NOVEL FRAGMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 WO disclosed
US-20100168135-A1 Method of Inducing Cleavage of Amyloid Precursor Protein to Form a Novel Fragment ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-07-01 US disclosed
EP-2077836-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-07-15 EP disclosed
US-20080103158-A1 spiro[imidazo[1,2-a]pyridin-2(3H)-one-3,2'-indan]; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-05-01 US disclosed
US-20080103157-A1 3,3-dibenzylimidazo[1,2-a]pyridin-2(3H)-one; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-05-01 US disclosed
WO-2008047952-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 WO disclosed
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-03-11 US disclosed
EP-1357124-A1 HETEROCYCLIC COMPOUNDS AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-10-29 EP 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 (6 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-20080103158-A1 spiro[imidazo[1,2-a]pyridin-2(3H)-one-3,2'-indan]; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally PSEN1, PSEN2, GRN NPC1 864/4885GAA 765/4885NPSR1 318/4885
US-20100168135-A1 Method of Inducing Cleavage of Amyloid Precursor Protein to Form a Novel Fragment APP, APBA1, BACE1 NPC1 2241/4885GAA 1284/4885NPSR1 2276/4885
US-20080103157-A1 3,3-dibenzylimidazo[1,2-a]pyridin-2(3H)-one; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally PSEN1, PSEN2, BDNF NPC1 1508/4885GAA 373/4885NPSR1 350/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT NPC1 841/4885GAA 1663/4885NPSR1 135/4885
US-20100256173-A1 Method of Treating Cognitive Impairment HTT, CHAT, PSEN2 NPC1 181/4885GAA 100/4885NPSR1 339/4885
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS PSEN1, GAP43, PSEN2 NPC1 1748/4885GAA 306/4885NPSR1 1191/4885

“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.