SCHEMBL1248073

SCHEMBL1248073

COc1ccc2c(c1)NCCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.49
PPARD Q03181 3/20 0.49
PPARA Q07869 3/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ACHE P22303 2/20 0.47
KDR P35968 2/20 0.43
PDGFRB P09619 1/20 0.43
HTR5A P47898 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
KDM1A O60341 1/20 0.40
PARP1 P09874 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
SCHEMBL1395133 0.95 HRH3 (0.52) PPARGPPARDPPARAHRH3ACHE
SCHEMBL30471897 0.95 HRH3 (0.52) PPARGPPARDPPARAHRH3ACHE
SCHEMBL550150 0.87 HTR2C (0.50) HRH3HTR5AHTR2AHTR2CHTR2B
SCHEMBL30025932 0.87 HTR2C (0.50) HRH3HTR5AHTR2AHTR2CHTR2B
SCHEMBL2778234 0.86 HRH3 (0.48) HRH3KDRPDGFRBHTR2CDRD2
Hydrochloric Acid SCHEMBL3526192 0.85 KDM4E (0.48) HRH3KDRPDGFRBHTR2CDRD2
SCHEMBL665048 0.81 CA12 (0.53) HRH3KDRHTR2CDRD2DRD1
Hydrochloric Acid SCHEMBL8021718 0.79 KDM4E (0.53) HRH3KDRHTR2CDRD2DRD1
Acetic Acid SCHEMBL10992625 0.79 CPS1 (0.48) PPARGPPARDPPARAACHEHTR5A
SCHEMBL5469125 0.79 HRH3 (0.45) PPARGPPARDPPARAHRH3ACHE

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
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 US disclosed
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 US disclosed
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP disclosed
EP-2782916-B1 CARBOXY X RHODAMINE ANALOGS PROMEGA CORP (US) 2018-02-28 EP disclosed
EP-2782916-B1 CARBOXY X RHODAMINE ANALOGS PROMEGA CORP (US) 2018-02-28 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-20160320372-A1 CARBOXY X RHODAMINE ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-11-03 US disclosed
US-9403776-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-08-02 US disclosed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 US disclosed
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
EP-1439841-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2005-11-09 EP disclosed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US disclosed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP disclosed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 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 (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-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, MAVS, ZC3HAV1L PPARG 2631/4885PPARD 1766/4885PPARA 2012/4885
US-20160320372-A1 CARBOXY X RHODAMINE ANALOGS PRCP, CPA3, CPA4 PPARG 4136/4885PPARD 3442/4885PPARA 4010/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L PPARG 2631/4885PPARD 1766/4885PPARA 2012/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 PPARG 1994/4885PPARD 2335/4885PPARA 1421/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 PPARG 1755/4885PPARD 635/4885PPARA 1094/4885
US-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR PPARG 24/4885PPARD 82/4885PPARA 30/4885

“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.