SCHEMBL10083299

SCHEMBL10083299

O=C(N[C@@H]1Cc2ccc(CN3CCCC3)cc2C1)c1ccc(OCC2CC2)cn1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.77
PRKAA2 P54646 8/20 0.45
PRKAB2 O43741 4/20 0.45
PRKAG1 P54619 4/20 0.45
PRKAA1 Q13131 4/20 0.45
PRKAG3 Q9UGI9 4/20 0.45
PRKAG2 Q9UGJ0 4/20 0.45
PRKAB1 Q9Y478 4/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL10083293 0.87 MCHR1 (1.00) MCHR1PRKAA2
SCHEMBL10083230 0.87 MCHR1 (0.67) MCHR1
SCHEMBL10083316 0.84 MCHR1 (0.76) MCHR1
SCHEMBL10083297 0.84 MCHR1 (0.82) MCHR1
SCHEMBL10083318 0.83 MCHR1 (0.64) MCHR1PRKAA2
SCHEMBL16359767 0.83 MCHR1 (0.66) MCHR1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13129527 0.83 MCHR1 (0.88) MCHR1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL10083298 0.83 MCHR1 (1.00) MCHR1
SCHEMBL13945214 0.82 MCHR1 (0.90) MCHR1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13129578 0.82 MCHR1 (0.90) MCHR1PRKAA2PRKAB2PRKAG1PRKAA1

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-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

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 1/4885PRKAA2 2926/4885PRKAB2 3250/4885

“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.