SCHEMBL354948

SCHEMBL354948

O=C(NC1CCc2cc(Br)ccc2C1)c1ccc(OCC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
TAOK3 Q9H2K8 4/20 0.46
TAOK1 Q7L7X3 3/20 0.46
MCHR1 Q99705 5/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PRMT5 O14744 1/20 0.41

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
SCHEMBL354947 1.00 NR1H4 (0.47) NR1H4TAOK3TAOK1MCHR1PARP15
SCHEMBL420113 0.92 MCHR1 (0.51) NR1H4MCHR1PARP15PARP10PARP2
SCHEMBL420114 0.92 MCHR1 (0.51) NR1H4MCHR1PARP15PARP10PARP2
SCHEMBL354944 0.85 MCHR1 (0.47) NR1H4TAOK3TAOK1MCHR1PARP15
SCHEMBL354945 0.85 MCHR1 (0.47) NR1H4TAOK3TAOK1MCHR1PARP15
SCHEMBL2812283 0.85 RAB9A (0.64) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL2812279 0.85 RAB9A (0.64) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL2814883 0.85 RAB9A (0.64) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL355780 0.84 CA1 (0.58) TAOK3TAOK1MCHR1CA1CA2
SCHEMBL355015 0.84 CA1 (0.58) TAOK3TAOK1MCHR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841290-B2 Substituted tetrahydronaphthalenes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2014-09-23 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
WO-2010092153-A1 NEW SUBSTITUTED TETRAHYDRONAPTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI-AVENTIS (FR) 2010-08-19 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 (1 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-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS PAH, MCHR1, DHPS NR1H4 109/4885TAOK3 1665/4885TAOK1 2034/4885

“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.