SCHEMBL4535855

SCHEMBL4535855

COc1cccc(OC)c1C1CC(C)(C)CC(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CREBBP Q92793 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PDE4B Q07343 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 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
SCHEMBL4531809 0.75 PDE4A (0.50) HCRTR1HCRTR2L3MBTL1PDE4BIRAK4
SCHEMBL4536295 0.73 PDE4A (0.45) HCRTR1HCRTR2PDE4B
SCHEMBL4538938 0.72 PDE4A (0.47) HCRTR1HCRTR2PDE4B
SCHEMBL4542036 0.72 CREBBP (0.44) ALDH1A1HCRTR1HCRTR2CREBBPL3MBTL1
SCHEMBL29669626 0.68 IRAK4 (0.44) ALDH1A1HCRTR1HCRTR2L3MBTL1HTR2A
SCHEMBL4529452 0.68 ACHE (0.44) ALDH1A1HCRTR1HCRTR2CREBBPL3MBTL1
SCHEMBL5732983 0.65 CREBBP (0.46) ALDH1A1CYP2C19CYP2C9CREBBPTSHR
SCHEMBL749617 0.65 L3MBTL1 (0.40) ALDH1A1HSD17B10CREBBPL3MBTL1HTR2A
SCHEMBL5732528 0.64 MAPT (0.41) ALDH1A1CREBBPTSHRLMNA
SCHEMBL754071 0.64 ALDH1A1 (0.39) ALDH1A1HSD17B10CREBBPL3MBTL1CRHBP

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
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 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

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 2282/4885HCRTR1 2/4885HCRTR2 1/4885

“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.