SCHEMBL4535681

SCHEMBL4535681

FC(F)Oc1cccc(CBr)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.44
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CCR1 P32246 1/20 0.36
PDE10A Q9Y233 1/20 0.34
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
RXRA P19793 3/20 0.32
PDE8A O60658 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
HTR7 P34969 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL27929261 0.86 MBOAT4 (0.42) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL4538300 0.81 MBOAT4 (0.47) MBOAT4HCRTR1HCRTR2CCR1PDE10A
SCHEMBL30242161 0.81 MBOAT4 (0.47) MBOAT4HCRTR1HCRTR2CCR1PDE10A
SCHEMBL22181776 0.81 MBOAT4 (0.47) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL30988762 0.81 MBOAT4 (0.44) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL28804934 0.76 MBOAT4 (0.41) MBOAT4HCRTR1HCRTR2ADORA2A
SCHEMBL18705 0.75 KDM1A (0.44) CCR1HTR7ADORA2A
SCHEMBL29576132 0.75 HTR7 (0.43) MBOAT4HCRTR1HCRTR2PDE10AHTR7
SCHEMBL29427090 0.75 KDM1A (0.44) CCR1HTR7ADORA2A
SCHEMBL17239464 0.75 HTR7 (0.43) MBOAT4HCRTR1HCRTR2PDE10AHTR7

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 MBOAT4 1555/4885HCRTR1 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.