SCHEMBL1753231

SCHEMBL1753231

CCOC(=O)c1nn(C)c(-c2ccccc2)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
HSD17B10 Q99714 4/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP19A1 P11511 1/20 0.52
MAPT P10636 3/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL10057637 0.86 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL9204410 0.85 TSHR (0.51) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL9196652 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL10172623 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDTSHRL3MBTL1
SCHEMBL9204471 0.82 CYP19A1 (0.51) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL32691488 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRL3MBTL1
SCHEMBL6094592 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDKDM4EL3MBTL1
SCHEMBL649784 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRL3MBTL1
SCHEMBL20027816 0.78 CYP19A1 (0.68) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL19209495 0.78 TSHR (0.57) ALDH1A1HSD17B10HPGDKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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 (2 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885HSD17B10 3001/4885HPGD 1745/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885HSD17B10 3001/4885HPGD 1745/4885

“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.