SCHEMBL552965

SCHEMBL552965

CCCN(CCC)CCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.71
DRD2 P14416 4/20 0.71
OPRM1 P35372 4/20 0.71
OPRD1 P41143 3/20 0.71
OPRK1 P41145 3/20 0.71
DRD1 P21728 2/20 0.61
DRD4 P21917 1/20 0.61
DRD5 P21918 1/20 0.61
TAAR1 Q96RJ0 1/20 0.58
SIGMAR1 Q99720 2/20 0.56
EBP Q15125 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
BCHE P06276 1/20 0.55
CHRM2 P08172 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55

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
Hydrochloric Acid SCHEMBL28327056 0.98 DRD3 (0.69) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL12128296 0.91 DRD3 (0.68) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL7327745 0.90 DRD2 (0.61) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL1344100 0.88 OPRK1 (0.65) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL5879246 0.87 OPRM1 (0.73) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL6947636 0.87 OPRM1 (0.73) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL12049808 0.85 OPRK1 (0.63) DRD3DRD2OPRM1OPRD1OPRK1
Water SCHEMBL31499003 0.85 KCNH2 (0.71) DRD3OPRM1DRD1SIGMAR1BCHE
Hydrochloric Acid SCHEMBL10619472 0.85 KCNH2 (0.71) DRD3OPRM1DRD1SIGMAR1BCHE
SCHEMBL12796706 0.85 OPRM1 (0.71) DRD3DRD2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117535159-A Tobacco aroma-enhancing microbial preparation for fermentation, preparation method and application thereof 江西中烟工业有限责任公司 2024-02-09 CN disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
CN-101247804-B chemical compound SMITHKLINE BEECHAM CORP 2012-09-26 CN disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US disclosed
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 EP disclosed
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 US disclosed
CN-101247804-A chemical compound SMITHKLINE BEECHAM CORP (US) 2008-08-20 CN disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
EP-1848691-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE Alembic Limited (IN) 2007-10-31 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO disclosed
EP-0036773-B1 2,3-DIHYDROBENZOFURANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1983-02-16 EP disclosed
EP-0036773-A1 2,3-Dihydrobenzofurans, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1981-09-30 EP disclosed
US-4254140-A USED FOR CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENT SMITHKLINE CORPORATION (US) 1981-03-03 US 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA DRD3 2009/4885DRD2 1120/4885OPRM1 1563/4885
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS DPYD, NTPCR, NME1 DRD3 4247/4885DRD2 4500/4885OPRM1 3626/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA DRD3 2009/4885DRD2 1120/4885OPRM1 1563/4885
US-20080262244-A1 Process for the Preparation of Indolone Derivative HTR3C, HTR3B, HTR1B DRD3 42/4885DRD2 48/4885OPRM1 759/4885

“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.