SCHEMBL16300086

SCHEMBL16300086

Cc1ccccc1C(CO)N1CCc2sccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.51
DRD1 P21728 4/20 0.50
ABCB11 O95342 3/20 0.50
ADRA2A P08913 2/20 0.50
CYP2B6 P20813 2/20 0.50
OPRM1 P35372 2/20 0.50
OPRK1 P41145 2/20 0.50
HTR2B P41595 2/20 0.50
KCNH2 Q12809 2/20 0.50
THRB P10828 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
P2RY12 Q9H244 1/20 0.50
MC4R P32245 1/20 0.42
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 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
SCHEMBL16301255 0.88 CYP2C19 (0.47) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL2720302 0.86 ABCB11 (0.60) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL10621069 0.83 OPRL1 (0.45) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL13659995 0.83 ABCB11 (0.57) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL13660161 0.83 ABCB11 (0.57) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL16301256 0.80 CYP2C19 (0.47) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL25015567 0.80 ABCB11 (0.56) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL16301254 0.79 ABCB11 (0.46) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL13145041 0.77 ABCB11 (0.78) CYP2C19DRD1ABCB11ADRA2ACYP2B6
SCHEMBL13145137 0.77 ABCB11 (0.78) CYP2C19DRD1ABCB11ADRA2ACYP2B6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349833-B2 Compounds, compositions and methods useful for cholesterol mobilisation CERENIS THERAPEUTICS HOLDING SA (FR) 2013-01-08 US disclosed
US-20120129856-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CERENIS THERAPEUTICS SA (FR) 2012-05-24 US disclosed
WO-2012054535-A2 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CERENIS THERAPEUTICS SA (FR) 2012-04-26 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-20120129856-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CETP, NPC1L1, NPC1 CYP2C19 689/4885DRD1 3813/4885ABCB11 9/4885

“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.