SCHEMBL214989

SCHEMBL214989

Cc1cc(OCCCN2CCOCC2)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HRH3 Q9Y5N1 3/20 0.63
MAPK1 P28482 2/20 0.63
CYP1A2 P05177 1/20 0.63
CHRM2 P08172 1/20 0.63
CHRM1 P11229 1/20 0.63
HTR2A P28223 1/20 0.63
SCN1A P35498 1/20 0.63
HTR2B P41595 1/20 0.63
KCNH2 Q12809 1/20 0.63
SCN2A Q99250 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
SCN3A Q9NY46 1/20 0.63
NPC1 O15118 1/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL2946059 0.93 NPC1 (0.71) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL14662190 0.89 ALDH1A1 (0.63) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL14419243 0.87 KDM4E (0.59) ALDH1A1HRH3KCNH2MEN1KMT2A
SCHEMBL10207398 0.87 ALDH1A1 (0.68) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL12005974 0.86 HRH3 (0.62) ALDH1A1HRH3HTR2ASIGMAR1NPC1
SCHEMBL15938888 0.84 HRH3 (0.60) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL12311794 0.83 ALDH1A1 (0.62) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL1605290 0.82 NPC1 (0.67) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL14419696 0.82 HTR2A (0.43) ALDH1A1HRH3MAPK1CYP1A2CHRM2
SCHEMBL14419359 0.82 HTR2A (0.45) ALDH1A1HRH3MAPK1CYP1A2CHRM2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP disclosed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885HRH3 1553/4885MAPK1 354/4885

“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.