SCHEMBL4535559

SCHEMBL4535559

OCc1ccnc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
KDM6B O15054 1/20 0.51
KDM4A O75164 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
CBFB Q13951 3/20 0.51
RECQL P46063 1/20 0.50

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
SCHEMBL29603676 1.00 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1411265 0.88 RECQL (0.61) CCR1CCR5CCR8CBFBRECQL
SCHEMBL29393772 0.88 RECQL (0.61) CCR1CCR5CCR8CBFBRECQL
SCHEMBL30567052 0.85 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14263382 0.85 CCR1 (0.58) KDM4ELMNACCR1CCR5CCR8
SCHEMBL995901 0.81 ASIC3 (0.53) LMNAKDM4CRECQLNPC1RAB9A
SCHEMBL7037544 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30485802 0.81 LOXL2 (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28416719 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7036361 0.81 LOXL2 (0.56) 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 10 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
WO-2003055477-A1 METHOD FOR THE TREATMENT OF MC RECEPTOR RELATED DISORDERS WITH A CHELATE AND/OR A CHELATOR 7TM PHARMA A/S (DK) 2003-07-10 WO disclosed
CN-1107054-C Preparation method, separation method and application of 2,4' -dipyridyl derivative SUNTORY LTD (JP) 2003-04-30 CN disclosed
WO-2003003009-A1 USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed
WO-2003003008-A1 CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed
CN-1230950-A Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof SUNTORY LTD (JP) 1999-10-06 CN 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 KDM4E 2065/4885LMNA 3751/4885CCR1 644/4885

“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.