SCHEMBL2088974

SCHEMBL2088974

CC1(C)COC(c2ccc(O)cc2)=N1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
IL2 P60568 1/20 0.39
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL471858 0.90 KDM4E (0.60) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL8901428 0.85 ESR1 (0.50) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL3942245 0.83 KDM4E (0.53) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL20409590 0.83 KDM4E (0.53) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL19287365 0.82 KDM4E (0.43) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL4447566 0.81 KDM4E (0.51) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL3751992 0.81 LMNA (0.55) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL20411007 0.81 HRH3 (0.54) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL10837608 0.81 KDM4E (0.56) KDM4EHRH3CYP2D6LMNAHTT
SCHEMBL1763999 0.81 KDM4E (0.51) KDM4EHRH3CYP2D6LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 US claimed
EP-1866294-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP claimed
WO-2006103057-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2006-10-05 WO claimed
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
US-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed
US-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed
US-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP disclosed
EP-1866294-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006103057-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2006-10-05 WO disclosed
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
CN-1021328-C PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1993-06-23 CN disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed
CN-1033274-A The preparation method of new Pyridazinyl amine derivative JANSSEN PHARMACEUTICA NV (BE) 1989-06-07 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 (2 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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB KDM4E 3842/4885HRH3 700/4885CYP2D6 2371/4885
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses NR1H3, NR1I3, NR1I2 KDM4E 3442/4885HRH3 196/4885CYP2D6 281/4885

“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.