SCHEMBL420113

SCHEMBL420113

O=C(N[C@@H]1Cc2ccc(Br)cc2C1)c1ccc(OCC2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.51
NR1H4 Q96RI1 1/20 0.49
PARP15 Q460N3 3/20 0.47
PARP10 Q53GL7 3/20 0.47
PARP2 Q9UGN5 2/20 0.47
PRMT5 O14744 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL420114 1.00 MCHR1 (0.51) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL354947 0.92 NR1H4 (0.47) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL354948 0.92 NR1H4 (0.47) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL415260 0.84 MCHR1 (0.54) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL415259 0.84 MCHR1 (0.54) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL2870853 0.84 MCHR1 (0.68) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL2870855 0.84 MCHR1 (0.68) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL10083230 0.80 MCHR1 (0.67) MCHR1
SCHEMBL10083232 0.79 MCHR1 (0.57) MCHR1NR1H4PARP15PARP10PARP2
SCHEMBL421414 0.78 MCHR1 (0.71) MCHR1NR1H4NPC1RAB9ASMN1; SMN2

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-8552199-B2 Substituted indanes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2013-10-08 US disclosed
US-20120022039-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2012-01-26 US disclosed
EP-2396298-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2011-12-21 EP disclosed
WO-2010092154-A1 NOVEL SUBSTITUTED INDANES, 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-20120022039-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS MCHR1, MCHR2, IDO1 MCHR1 1/4885NR1H4 159/4885PARP15 1854/4885

“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.