SCHEMBL420072

SCHEMBL420072

CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1Cc2ccc(C=O)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.70
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL420073 1.00 MCHR1 (0.70) MCHR1TDP1RAB9ASMN1; SMN2MAPT
SCHEMBL418114 0.86 MCHR1 (0.69) MCHR1
SCHEMBL418113 0.86 MCHR1 (0.69) MCHR1
SCHEMBL10083284 0.82 MCHR1 (1.00) MCHR1TDP1
SCHEMBL10083285 0.82 MCHR1 (0.78) MCHR1
SCHEMBL420199 0.81 MCHR1 (0.69) MCHR1TDP1RAB9ASMN1; SMN2MAPT
SCHEMBL420200 0.81 MCHR1 (0.69) MCHR1TDP1RAB9ASMN1; SMN2MAPT
SCHEMBL10083280 0.80 MCHR1 (0.75) MCHR1
SCHEMBL10083249 0.79 MCHR1 (0.79) MCHR1TDP1
SCHEMBL13206379 0.79 MCHR1 (0.79) MCHR1TDP1

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 1/4885TDP1 3233/4885RAB9A 4438/4885

“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.