SCHEMBL4529792

SCHEMBL4529792

O=Cc1ccc(F)c(-c2ccccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
KDM4E B2RXH2 6/20 0.41
LMNA P02545 4/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
METAP1 P53582 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
TGFBR1 P36897 1/20 0.37
HTT P42858 2/20 0.37
CBFB Q13951 1/20 0.37

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
SCHEMBL5328041 0.79 KDM1A (0.51) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL31039988 0.78 L3MBTL1 (0.42) KDM1AKDM4ECCR1CCR5CCR8
SCHEMBL5845698 0.78 GRM5 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4725122 0.77 KDM4E (0.44) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL3925449 0.77 NPSR1 (0.54) KDM1AKDM4ELMNACYP1A2POLB
SCHEMBL6856211 0.76 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL29901533 0.76 CCR1 (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28115227 0.76 CCR1 (0.52) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL28723689 0.75 KDM4E (0.59) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL12377643 0.75 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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 KDM1A 1270/4885KDM4E 2065/4885LMNA 3751/4885

“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.