SCHEMBL17007693

SCHEMBL17007693

CC(C)(C)OC(=O)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
GPR119 Q8TDV5 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
NAMPT P43490 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CCNK O75909 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GBA1 P04062 1/20 0.49

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
SCHEMBL20567182 0.86 TRPV6 (0.59) KDM4EALDH1A1LMNA
SCHEMBL15103054 0.86 KDM4E (0.55) KDM4EALDH1A1GPR119NAMPTPOLB
SCHEMBL4234534 0.85 FNTA (0.57) KDM4EALDH1A1GPR119NAMPTPOLB
SCHEMBL209719 0.84 GPR119 (0.47) GPR119
SCHEMBL1088443 0.84 GPR119 (0.59) KDM4EALDH1A1GPR119POLB
SCHEMBL2862442 0.84 ALDH1A1 (0.60) KDM4EALDH1A1LMNA
SCHEMBL12935916 0.83 ALDH1A1 (0.62) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL1306785 0.83 SIGMAR1 (0.61) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL5714363 0.83 GPR119 (0.53) GPR119NAMPTPOLBGBA1
SCHEMBL30520640 0.82 MEN1 (0.50) GPR119CCNKCDK12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106470974-B For treating the compound of virus infection 韩国巴斯德研究所 2019-07-16 CN disclosed
EP-3131890-B1 COMPOUNDS FOR TREATING VIRAL INFECTIONS PASTEUR INSTITUT KOREA (KR) 2019-04-24 EP disclosed
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
CN-106470974-A For treating the compound of virus infection 韩国巴斯德研究所 2017-03-01 CN disclosed
EP-3131890-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS Institut Pasteur Korea (KR) 2017-02-22 EP disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
WO-2015158908-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2015-10-22 WO disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 KDM4E 3600/4885ALDH1A1 1308/4885GPR119 25/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 KDM4E 3600/4885ALDH1A1 1308/4885GPR119 25/4885
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, EIF2AK2 KDM4E 4004/4885ALDH1A1 676/4885GPR119 2021/4885

“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.