SCHEMBL4536724

SCHEMBL4536724

O=Cc1cnc(OC(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.39
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
ALDH1A1 P00352 3/20 0.37
TRPV4 Q9HBA0 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
ALDH1A3 P47895 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
RORC P51449 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16758891 0.85 ALDH1A3 (0.41) ALDH1A1ALDH1A3RORCL3MBTL1SCN9A
SCHEMBL24133692 0.83 DRD1 (0.39) DRD1ALDH1A1TRPV4POLBCASP6
SCHEMBL30345266 0.83 DRD1 (0.39) DRD1ALDH1A1TRPV4POLBCASP6
SCHEMBL4540418 0.81 DRD1 (0.38) DRD1HCRTR1HCRTR2ALDH1A1TRPV4
SCHEMBL29566288 0.79 ALDH1A1 (0.40) ALDH1A1ALDH1A3GAALMNACYP2C9
SCHEMBL9510001 0.79 ALDH1A1 (0.40) ALDH1A1ALDH1A3GAALMNACYP2C9
SCHEMBL25742048 0.78 RORC (0.40) HCRTR1HCRTR2ALDH1A1TRPV4POLB
SCHEMBL14831752 0.77 SMN1; SMN2 (0.39) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL4540518 0.76 HCRTR1 (0.42) DRD1HCRTR1HCRTR2
SCHEMBL16045864 0.76 DRD1 (0.42) DRD1PDE4B

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 DRD1 274/4885HCRTR1 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.