SCHEMBL2651774

SCHEMBL2651774

Fc1[c]cccc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4284574 0.79 CCR1 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3363096 0.79 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL29983197 0.75 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7571214 0.75 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL858806 0.75 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9957877 0.74 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2651777 0.74 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1641797 0.74 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1780998 0.74 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18952826 0.74 GRM2 (0.33) NPC1TDP1SMN1; SMN2L3MBTL1TGFBR1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US claimed
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US claimed
US-7160880-B1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-01-09 US claimed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO claimed
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
US-7485635-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-02-03 US disclosed
US-7381725-B2 Pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2008-06-03 US disclosed
WO-2004076452-A1 5,8-DIFLUOROIMIDAZO[1,2-a]PYRIDINES AS GABA-A α2/α3 LIGANDS FOR TREATING ANXIETY AND/OR DEPRESSION MERCK SHARP & DOHME LIMITED (GB) 2004-09-10 WO disclosed
US-6787559-B2 HYDROXYCARBONYL OR ALKYLOXYCARBONYL OR AMINOHYDROXYCARBONYL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PROCOLLAGEN C-PROTENASE INHIBITOR SYNTEX (U.S.A.) LLC. 2004-09-07 US disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
WO-2003086406-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-10-23 WO disclosed
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 US disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 WO disclosed
US-4797490-A Process for the preparation of 3-(2'-fluorophenyl)pyridine PFIZER INC. (US) 1989-01-10 US 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 (3 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
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 KDM4E 3767/4885LMNA 4507/4885CCR1 1659/4885
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 KDM4E 2124/4885LMNA 3496/4885CCR1 592/4885

“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.