SCHEMBL10083232

SCHEMBL10083232

O=C(N[C@@H]1Cc2ccc(CNC3CCOCC3)cc2C1)c1ccc(OCC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.57
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
SSTR3 P32745 1/20 0.39

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
SCHEMBL421413 0.90 MCHR1 (0.71) MCHR1NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL421414 0.90 MCHR1 (0.71) MCHR1NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL13129415 0.83 MCHR1 (0.66) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL10083230 0.79 MCHR1 (0.67) MCHR1
SCHEMBL420113 0.79 MCHR1 (0.51) MCHR1NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL420114 0.79 MCHR1 (0.51) MCHR1NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL10083316 0.78 MCHR1 (0.76) MCHR1
SCHEMBL13129329 0.78 MCHR1 (0.69) MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL415259 0.77 MCHR1 (0.54) MCHR1NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL415260 0.77 MCHR1 (0.54) 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 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 1/4885NR1H4 159/4885NPC1 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.