SCHEMBL977558

SCHEMBL977558

c1ccc(C2(c3ccccc3)CNCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
OPRM1 P35372 1/20 0.41
SLC6A2 P23975 9/20 0.38
SLC6A3 Q01959 9/20 0.38
SLC6A4 P31645 8/20 0.38
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL21835312 0.86 SLC6A2 (0.38) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL11625346 0.82 OPRM1 (0.53) HTR2AOPRM1SLC6A2SLC6A4
SCHEMBL976310 0.82 SLC6A2 (0.37) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL8989069 0.81 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4CHRNB2CHRNB4
SCHEMBL136222 0.77 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL3458741 0.77 HTR2A (0.48) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL27794398 0.77 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL1334863 0.77 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL10880855 0.77 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
Bromide SCHEMBL5224748 0.76 HTR2A (0.43) HTR2AOPRM1SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107129440-B A kind of total synthesis method of natural products (+)-negamycin 上海应用技术大学 2018-12-04 CN disclosed
CN-105814027-A Novel compounds for the regeneration of terminally differentiated cells and tissues 阿库西亚医疗有限责任公司 2016-07-27 CN disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO disclosed
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
EP-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
EP-1716126-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-02 EP disclosed
WO-2005066144-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
EP-0656365-B1 Substituted 2beta-morpholinoandrostane derivatives AKZO NOBEL NV (NL) 1997-04-09 EP disclosed
US-5593983-A PREPARATION BY REACTING SUBSTITUTED /THIO/MORPHOLINE OR SALT AND 2,3-EPOXYANDROSTANE OR 2,3-EPOXY-19-NOR-ANDROSTANE; USE TO INDUCE ANESTHESIA AKZO NOBEL N.V. (NL) 1997-01-14 US disclosed
EP-0656365-A1 Substituted 2beta-morpholinoandrostane derivatives Akzo Nobel N.V. (NL) 1995-06-07 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 (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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HTR2A 1799/4885OPRM1 489/4885SLC6A2 3198/4885
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D HTR2A 436/4885OPRM1 431/4885SLC6A2 1262/4885
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 HTR2A 44/4885OPRM1 9/4885SLC6A2 1/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HTR2A 1799/4885OPRM1 489/4885SLC6A2 3198/4885

“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.