SCHEMBL4540648

SCHEMBL4540648

OCc1cccc(-n2ccnn2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.58
KEAP1 Q14145 1/20 0.58
CFTR P13569 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PRKCI P41743 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL17067031 0.83 NOTUM (0.59) NOTUMKEAP1HCRTR1HCRTR2CYP3A4
SCHEMBL14961974 0.82 NOTUM (0.75) NOTUMKEAP1CYP19A1
SCHEMBL27707689 0.80 NOTUM (0.55) NOTUMKEAP1HCRTR1HCRTR2LMNA
SCHEMBL533418 0.79 NOTUM (0.58) NOTUMKEAP1CYP11B1CYP11B2CYP19A1
SCHEMBL28079351 0.78 LMNA (0.61) NOTUMCFTRHCRTR1HCRTR2CYP11B1
SCHEMBL11410355 0.77 NOTUM (0.64) NOTUMKEAP1LMNACYP3A4
SCHEMBL17781372 0.77 NOTUM (0.42) NOTUMKEAP1CYP19A1
SCHEMBL29538864 0.77 NOTUM (0.42) NOTUMKEAP1CYP19A1
Hydrochloric Acid SCHEMBL31245632 0.76 NOTUM (0.62) NOTUMKEAP1LMNACYP3A4
SCHEMBL27485741 0.75 NOTUM (0.49) NOTUMKEAP1HCRTR1HCRTR2LMNA

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 6 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
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN 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 NOTUM 1419/4885KEAP1 853/4885CFTR 2151/4885

“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.