SCHEMBL420199

SCHEMBL420199

O=Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)C2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.69
RAB9A P51151 8/20 0.65
NPC1 O15118 8/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 1/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL420200 1.00 MCHR1 (0.69) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2813850 0.94 RAB9A (0.62) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2813040 0.94 RAB9A (0.62) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2813037 0.94 RAB9A (0.62) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL418820 0.88 MCHR1 (0.71) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL418821 0.88 MCHR1 (0.71) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2870855 0.87 MCHR1 (0.68) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2870853 0.87 MCHR1 (0.68) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL415260 0.85 MCHR1 (0.54) MCHR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL415259 0.85 MCHR1 (0.54) MCHR1RAB9ANPC1SMN1; SMN2MAPT

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 1/4885RAB9A 4438/4885NPC1 696/4885

“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.