Sugi Predict

Sugi Predict / Compounds / SCHEMBL405743

SCHEMBL405743

SCHEMBL405743

CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3B O95264 1/20 0.57
▸ HTR3A P46098 1/20 0.57
▸ HRH4 Q9H3N8 1/20 0.57
▸ GBA1 P04062 2/20 0.55
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OGFRL1 Q5TC84 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CKS1B P61024 2/20 0.51
▸ SKP1 P63208 2/20 0.51
▸ SKP2 Q13309 2/20 0.51
▸ ACHE P22303 2/20 0.49
▸ PDE10A Q9Y233 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ MAP4K4 O95819 1/20 0.47
▸ GPR119 Q8TDV5 1/20 0.46

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
SCHEMBL31143019 1.00 HTR3B (0.57) HTR3BHTR3AHRH4GBA1OPRM1
SCHEMBL16818267 0.87 GBA1 (0.52) HTR3BHTR3AHRH4GBA1OPRM1
SCHEMBL31142819 0.86 TLR9 (0.46) GBA1OPRM1OPRD1OGFRL1POLB
SCHEMBL24951551 0.86 GBA1 (0.56) HRH4GBA1OPRM1OPRD1OGFRL1
SCHEMBL30819461 0.86 GBA1 (0.56) HRH4GBA1OPRM1OPRD1OGFRL1
SCHEMBL405668 0.85 TLR9 (0.45) GBA1OPRM1OPRD1OGFRL1POLB
SCHEMBL31142827 0.85 SLC2A1 (0.51) GBA1OPRM1OPRD1OGFRL1POLB
SCHEMBL12225041 0.84 MAP4K4 (0.43) HTR3BHTR3AHRH4GBA1OPRM1
SCHEMBL440733 0.84 GPR119 (0.49) GBA1OPRM1OPRD1OGFRL1POLB
SCHEMBL440019 0.84 GPR119 (0.49) GBA1OPRM1OPRD1OGFRL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 — — 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
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 — — US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 — — EP disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 — — WO disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 — — US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 — — EP disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 — — EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 — — US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 — — 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 (6 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 HTR3B 96/4885HTR3A 135/4885HRH4 246/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3B 113/4885HTR3A 153/4885HRH4 1/4885
US-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C HTR3B 12/4885HTR3A 11/4885HRH4 158/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 HTR3B 96/4885HTR3A 135/4885HRH4 246/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3B 113/4885HTR3A 153/4885HRH4 1/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3B 113/4885HTR3A 153/4885HRH4 1/4885

“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.