SCHEMBL2813656

SCHEMBL2813656

CC(C)(O)c1ccc2c(c1)CC[C@H](NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)C2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.65
RAB9A P51151 10/20 0.61
NPC1 O15118 10/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL2813659 1.00 MCHR1 (0.65) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2815849 0.92 MCHR1 (0.64) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13944956 0.92 MCHR1 (0.64) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2815851 0.92 MCHR1 (0.64) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13129529 0.91 MCHR1 (0.62) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13944546 0.89 MCHR1 (0.67) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2815406 0.89 MCHR1 (0.67) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2815399 0.89 MCHR1 (0.67) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2815864 0.88 RAB9A (0.64) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2815868 0.88 RAB9A (0.64) MCHR1RAB9ANPC1SMN1; SMN2MAPT

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 6 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-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-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2010-09-30 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MCHR1 2699/4885RAB9A 3214/4885NPC1 403/4885
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 MCHR1 2699/4885RAB9A 3214/4885NPC1 403/4885

“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.