SCHEMBL355302

SCHEMBL355302

N[C@H]1CCc2cc(C(=O)O)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.60
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
USP2 O75604 1/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL355303 1.00 OPRK1 (0.60) OPRK1ALDH1A1MAPTNFKB1THPO
Hydrochloric Acid SCHEMBL4780269 0.98 OPRK1 (0.58) OPRK1ALDH1A1MAPTNFKB1THPO
SCHEMBL459393 0.93 DRD2 (0.60) OPRK1ALDH1A1MAPTNFKB1THPO
Hydrochloric Acid SCHEMBL355061 0.92 DRD2 (0.58) OPRK1ALDH1A1MAPTNFKB1THPO
Hydrochloric Acid SCHEMBL12505562 0.92 DRD2 (0.58) OPRK1ALDH1A1MAPTNFKB1THPO
Hydrochloric Acid SCHEMBL6642375 0.84 ALDH1A1 (0.52) ALDH1A1MAPTKDM4E
SCHEMBL353908 0.81 OPRK1 (0.54) OPRK1DRD2DRD3
SCHEMBL8537094 0.81 ALDH1A1 (0.58) ALDH1A1MAPTDRD3KDM4E
SCHEMBL7275357 0.81 ALDH1A1 (0.53) ALDH1A1MAPTDRD3KDM4E
Hydrochloric Acid SCHEMBL353391 0.80 OPRK1 (0.53) OPRK1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188273-B1 SUBSTITUTED TETRA HYDRO NAPHTHALINES, METHOD FOR THEIR MANUFACTURE AND THEIR USE AS DRUGS SANOFI SA (FR) 2014-10-22 EP disclosed
US-8841290-B2 Substituted tetrahydronaphthalenes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2014-09-23 US disclosed
US-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI (FR) 2014-03-27 US disclosed
US-8609731-B2 Substituted tetrahydronaphthalenes, process for the preparation thereof and the use thereof as medicaments SANOFI (FR) 2013-12-17 US disclosed
US-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2012-01-19 US disclosed
EP-2396300-A1 NEW SUBSTITUTED TETRAHYDRONAPTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2011-12-21 EP disclosed
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
WO-2010092153-A1 NEW SUBSTITUTED TETRAHYDRONAPTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI-AVENTIS (FR) 2010-08-19 WO disclosed
EP-2188273-A2 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS Sanofi-Aventis (FR) 2010-05-26 EP disclosed
WO-2009021740-A2 SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFIS-AVENTIS (FR) 2009-02-19 WO disclosed
EP-2025674-A1 Substituted tetra hydro naphthalines, method for their manufacture and their use as drugs sanofi-aventis (FR) 2009-02-18 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 (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-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 OPRK1 912/4885ALDH1A1 863/4885MAPT 2031/4885
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 OPRK1 912/4885ALDH1A1 863/4885MAPT 2031/4885
US-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS PAH, MCHR1, DHPS OPRK1 147/4885ALDH1A1 1247/4885MAPT 1487/4885

“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.