SCHEMBL354918

SCHEMBL354918

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
ACHE P22303 4/20 0.53
HDAC8 Q9BY41 3/20 0.49
PRMT5 O14744 1/20 0.44
CNR2 P34972 1/20 0.43
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
SYK P43405 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
DRD3 P35462 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL354919 1.00 CA1 (0.53) CA1CA2ACHEHDAC8PRMT5
SCHEMBL6512220 0.89 HDAC8 (0.53) CA1CA2ACHEHDAC8PRMT5
SCHEMBL6512226 0.89 HDAC8 (0.53) CA1CA2ACHEHDAC8PRMT5
SCHEMBL6518075 0.89 HDAC8 (0.53) CA1CA2ACHEHDAC8PRMT5
SCHEMBL17478438 0.88 MTNR1A (0.53) CA1CA2ACHEHDAC8SRD5A1
SCHEMBL17478436 0.88 MTNR1A (0.53) CA1CA2ACHEHDAC8SRD5A1
SCHEMBL355780 0.85 CA1 (0.58) CA1CA2ACHEHDAC8CNR2
SCHEMBL355015 0.85 CA1 (0.58) CA1CA2ACHEHDAC8CNR2
SCHEMBL355014 0.85 CA1 (0.58) CA1CA2ACHEHDAC8CNR2
SCHEMBL14304774 0.85 HDAC8 (0.50) CA1CA2ACHEHDAC8PRMT5

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
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

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 CA1 4180/4885CA2 3416/4885ACHE 2851/4885
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 CA1 4180/4885CA2 3416/4885ACHE 2851/4885
US-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS PAH, MCHR1, DHPS CA1 3874/4885CA2 2860/4885ACHE 1642/4885

“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.