SCHEMBL7606859

SCHEMBL7606859

COc1ccc2c(C)noc2c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
BRD4 O60885 6/20 0.39
EDNRA P25101 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PPARD Q03181 1/20 0.38
POLB P06746 1/20 0.37
P2RY12 Q9H244 1/20 0.37
MAPT P10636 1/20 0.36
EDNRB P24530 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KCNA3 P22001 2/20 0.35

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
SCHEMBL12646517 0.82 EDNRA (0.41) ALDH1A1HPGDHSD17B10KDM4EL3MBTL1
SCHEMBL13841091 0.80 KDM4E (0.38) ALDH1A1HPGDKDM4EBRD4PPARD
SCHEMBL13596040 0.78 HTT (0.38) ALDH1A1KDM4EBRD4PPARDHCRTR1
SCHEMBL13596012 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1BRD4PPARD
SCHEMBL1278957 0.78 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EL3MBTL1
SCHEMBL6993519 0.78 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4EL3MBTL1
SCHEMBL13596024 0.77 ALDH1A1 (0.35) ALDH1A1L3MBTL1BRD4EDNRAMAPT
SCHEMBL9910138 0.76 MCL1 (0.39) BRD4EDNRAEDNRBKCNA3
SCHEMBL31525913 0.76 CA4 (0.43) ALDH1A1BRD4EDNRAMAPTEDNRB
SCHEMBL31525439 0.76 BRD4 (0.40) ALDH1A1BRD4EDNRAMAPTEDNRB

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-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 2282/4885HPGD 1273/4885HSD17B10 1633/4885

“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.