SCHEMBL3661404

SCHEMBL3661404

CCOC(=O)C1(c2cc(Br)c(N)c(OCC3CC3)c2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL3659739 0.98 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3663250 0.84 THRA (0.40) THRATHRB
SCHEMBL13968082 0.84 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15494190 0.83 OPRM1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3658325 0.83 OPRM1 (0.42) OPRM1
SCHEMBL3654336 0.83 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13968086 0.82 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3659629 0.81 F2 (0.42) OPRM1
SCHEMBL15494210 0.81 OPRM1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3659289 0.80 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8889270-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2014-11-18 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
WO-2013106328-A1 TETRASUBSTITUTED BENZENES FOR TREATMENT OF EARLY ONSET ALZHEIMER'S DISEASE ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-18 WO disclosed
US-20120295981-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2012-11-22 US disclosed
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
EP-2234954-A1 TETRASUBSTITUTED BENZENES Envivo Pharmaceuticals, Inc. (US) 2010-10-06 EP disclosed
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 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-20140364641-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 OPRM1 3419/4885OPRD1 1671/4885OPRK1 1974/4885
US-20090299072-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 OPRM1 3419/4885OPRD1 1671/4885OPRK1 1974/4885
US-20120295981-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 OPRM1 3419/4885OPRD1 1671/4885OPRK1 1974/4885

“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.