SCHEMBL354944

SCHEMBL354944

O=Cc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(OCC3CC3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.47
NR1H4 Q96RI1 1/20 0.45
TAOK3 Q9H2K8 4/20 0.45
TAOK1 Q7L7X3 3/20 0.45
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
PARP2 Q9UGN5 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL354945 1.00 MCHR1 (0.47) MCHR1NR1H4TAOK3TAOK1PARP15
SCHEMBL415260 0.93 MCHR1 (0.54) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL415259 0.93 MCHR1 (0.54) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL356087 0.87 TAOK1 (0.60) TAOK3TAOK1CA1CA2ACHE
SCHEMBL356088 0.87 TAOK1 (0.60) TAOK3TAOK1CA1CA2ACHE
SCHEMBL2813850 0.86 RAB9A (0.62) MCHR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2813040 0.86 RAB9A (0.62) MCHR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2813037 0.86 RAB9A (0.62) MCHR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL354947 0.85 NR1H4 (0.47) MCHR1NR1H4TAOK3TAOK1PARP15
SCHEMBL354948 0.85 NR1H4 (0.47) MCHR1NR1H4TAOK3TAOK1PARP15

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 MCHR1 2/4885NR1H4 109/4885TAOK3 1665/4885

“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.