SCHEMBL3900178

SCHEMBL3900178

c1cc2c3c(ccc2[nH]1)OCCO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
AHR P35869 1/20 0.34
DRD2 P14416 5/20 0.34
HTR1A P08908 2/20 0.33
CREBBP Q92793 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
PARP1 P09874 1/20 0.33
ADRB1 P08588 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTK2 Q05397 1/20 0.32

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
SCHEMBL32669418 0.86 TTBK1 (0.40) AHRDRD2HTR1APARP1KDM4E
SCHEMBL1536537 0.77 PARP1 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4898754 0.77 DRD2 (0.32) AHRDRD2HTR1APARP1DRD4
SCHEMBL1978270 0.76 MEN1 (0.41) ADRA2AADRA2CAHRHTR1ACREBBP
SCHEMBL11437391 0.75 AHR (0.39) AHRDRD2PARP1ADRB1DRD4
SCHEMBL3249002 0.75 CYP1A2 (0.42) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL6092206 0.73 HTR1D (0.47) ADRA2AADRA2CDRD2HTR1A
SCHEMBL29952248 0.73 DRD2 (0.40) AHRDRD2HTR1APARP1SLC6A4
SCHEMBL5954699 0.71 AHR (0.35) AHRDRD2PARP1DRD4DRD3
SCHEMBL4537537 0.70 ADRA2A (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105199709-A Electrochromic material and preparation method thereof UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-30 CN claimed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
CN-105199709-B A kind of electrochromic material and preparation method thereof 青岛科技大学 2017-03-29 CN disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 WO disclosed
CN-105199709-A Electrochromic material and preparation method thereof UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-30 CN disclosed
US-6593350-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-07-15 US disclosed
US-6593350-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-07-15 US disclosed
US-20030087842-A1 Indolocarbazole anticancer agents and methods of using them ADVANCED LIFE SCIENCES, INC. 2003-05-08 US disclosed
WO-2002088146-A3 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO[2,3-e]INDOLE WYETH CORP (US) 2003-02-13 WO disclosed
US-20020183352-A1 Antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole WYETH (US) 2002-12-05 US disclosed
US-20020183352-A1 Antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole WYETH (US) 2002-12-05 US disclosed
WO-2002088145-A1 AZABICYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZACYCLOPENTA[a]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-07 WO disclosed
WO-2002088146-A2 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO[2,3-e]INDOLE WYETH (US) 2002-11-07 WO disclosed
WO-2002088146-A2 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO[2,3-e]INDOLE WYETH (US) 2002-11-07 WO disclosed
WO-2002048166-A1 INDOLOCARBAZOLE ANTICANCER AGENTS AND METHODS OF USING THEM ADVANCED LIFE SCIENCES, INC. (US) 2002-06-20 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 (4 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-20030087842-A1 Indolocarbazole anticancer agents and methods of using them TOP1, TOP2A, TOP2B ADRA2A 4233/4885ADRA2C 3299/4885ADRA1D 4249/4885
US-20020183352-A1 Antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole TPH1, OPRD1, HTR1D ADRA2A 115/4885ADRA2C 58/4885ADRA1D 21/4885
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 ADRA2A 52/4885ADRA2C 32/4885ADRA1D 73/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 ADRA2A 57/4885ADRA2C 33/4885ADRA1D 90/4885

“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.