SCHEMBL1103890

SCHEMBL1103890

COc1ccc(C2(O)CCN(C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.61
OPRD1 P41143 2/20 0.61
OPRK1 P41145 2/20 0.61
OPRL1 P41146 2/20 0.61
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SLC6A1 P30531 1/20 0.54
SLC6A12 P48065 1/20 0.54
SLC6A11 P48066 1/20 0.54
CCR1 P32246 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL8080268 0.90 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL10028305 0.87 OPRL1 (0.46) OPRM1OPRD1OPRK1OPRL1POLB
SCHEMBL28299186 0.85 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL21078139 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL23384021 0.83 OPRM1 (0.67) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL19226368 0.83 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL10319703 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL12317609 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL14438093 0.80 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ACCR1DRD2
SCHEMBL10389866 0.80 OPRM1 (0.67) OPRM1OPRD1OPRK1OPRL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021076886-A1 3-PHENYLSULPHONYL-QUINOLINE DERIVATIVES AS AGENTS FOR TREATING PATHOGENIC BLOOD VESSELS DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 WO disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20180000807-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
US-20170258777-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 WO disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 US disclosed
US-4954511-A ALLEVIATING PAIN, TREATING DEPRESSION, CONVULSIONS AND HYPERTENSION HOECHST-ROUSSELL PHARMACEUTICALS INC. (US) 1990-09-04 US disclosed
US-4914204-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS, HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-04-03 US disclosed
EP-0333027-A1 4-Pentafluorophenoxypiperidines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-20 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 (7 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-20180000807-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRD1 62/4885OPRK1 48/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 OPRM1 309/4885OPRD1 462/4885OPRK1 244/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRD1 62/4885OPRK1 48/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRD1 62/4885OPRK1 48/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRD1 62/4885OPRK1 48/4885
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRD1 62/4885OPRK1 48/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRD1 1381/4885OPRK1 697/4885

“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.