SCHEMBL2814883

SCHEMBL2814883

O=C(N[C@H]1CCc2cc(Br)ccc2C1)c1ccc(OC[C@@H]2CCCO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
NPC1 O15118 9/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
MCHR1 Q99705 3/20 0.61
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL2812279 1.00 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2812283 1.00 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2870853 0.93 MCHR1 (0.68) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2870855 0.93 MCHR1 (0.68) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2815864 0.89 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2815868 0.89 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2813850 0.87 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2813037 0.87 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2813040 0.87 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MCHR1LMNA
SCHEMBL2816984 0.86 MCHR1 (0.67) RAB9ANPC1SMN1; SMN2MCHR1LMNA

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 RAB9A 3214/4885NPC1 403/4885SMN1; SMN2 3949/4885
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 RAB9A 3214/4885NPC1 403/4885SMN1; SMN2 3949/4885

“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.