SCHEMBL4538546

SCHEMBL4538546

O=Cc1cccc(-c2ccccn2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
LMNA P02545 4/20 0.42
KDM4E B2RXH2 4/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
BLM P54132 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 3/20 0.41
ALOX15 P16050 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALPL P05186 1/20 0.41

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
SCHEMBL893835 0.84 KDM4E (0.50) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL30062580 0.84 KDM4E (0.50) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL29823771 0.84 KDM4E (0.50) GRM5LMNAKDM4ECCR1CCR5
Hydrochloric Acid SCHEMBL19893873 0.82 KDM4E (0.48) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL1031569 0.80 TRIM24 (0.49) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL11066745 0.80 GRM5 (0.44) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL7850495 0.80 ERN1 (0.49) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL27883176 0.78 ERN1 (0.46) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL27854216 0.78 LMNA (0.43) GRM5LMNAKDM4ECCR1CCR5
SCHEMBL2483816 0.77 TGFBR1 (0.47) GRM5LMNAKDM4ECCR1CCR5

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 GRM5 398/4885LMNA 3751/4885KDM4E 2065/4885

“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.