SCHEMBL625114

SCHEMBL625114

N#CC1(c2ccc(Cl)c(Cl)c2)CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.61
SLC6A4 P31645 14/20 0.51
SLC6A3 Q01959 9/20 0.51
OPRL1 P41146 1/20 0.47
SLC6A2 P23975 8/20 0.43
HDAC1 Q13547 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
SCHEMBL4826627 0.88 OPRM1 (0.71) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL1625785 0.86 OPRM1 (0.47) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL1611 0.84 OPRM1 (0.67) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL7377089 0.84 OPRM1 (0.67) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL626042 0.83 OPRM1 (0.65) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL31441136 0.83 OPRM1 (0.65) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL10052501 0.83 OPRM1 (0.57) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL625403 0.81 OPRM1 (0.58) OPRM1OPRL1
SCHEMBL14441345 0.81 OPRM1 (0.58) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL13253741 0.81 OPRM1 (0.58) OPRM1SLC6A4SLC6A3OPRL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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 (3 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN OPRM1 3044/4885SLC6A4 4113/4885SLC6A3 3829/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN OPRM1 3044/4885SLC6A4 4113/4885SLC6A3 3829/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 OPRM1 121/4885SLC6A4 511/4885SLC6A3 717/4885

“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.