SCHEMBL10083288

SCHEMBL10083288

CC1(C)CCN(Cc2ccc3c(c2)C[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cn2)C3)CC1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.84
CNR2 P34972 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 2/20 0.42
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 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
SCHEMBL13129510 0.95 MCHR1 (0.76) MCHR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL10083293 0.92 MCHR1 (1.00) MCHR1NPC1RAB9ASMN1; SMN2PRKAA2
SCHEMBL10083278 0.89 MCHR1 (1.00) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL13129527 0.87 MCHR1 (0.88) MCHR1NPC1RAB9ASMN1; SMN2PRKAB2
SCHEMBL13129511 0.87 MCHR1 (0.79) MCHR1NPC1RAB9ASMN1; SMN2PRKAB2
SCHEMBL13945214 0.86 MCHR1 (0.90) MCHR1NPC1RAB9ASMN1; SMN2PRKAB2
SCHEMBL13129528 0.86 MCHR1 (0.90) MCHR1NPC1RAB9ASMN1; SMN2PRKAB2
SCHEMBL13129578 0.86 MCHR1 (0.90) MCHR1NPC1RAB9ASMN1; SMN2PRKAB2
SCHEMBL13129513 0.85 MCHR1 (0.73) MCHR1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL13129518 0.85 MCHR1 (0.76) MCHR1NPC1RAB9ASMN1; SMN2PRKAB2

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 5 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-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
US-20120022039-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2012-01-26 US 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 1/4885CNR2 146/4885NPC1 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.