SCHEMBL9851969

SCHEMBL9851969

O=C(c1ccccc1F)C1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HSD11B1 P28845 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 1/20 0.46
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
CHRM1 P11229 4/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH3 Q9Y5N1 1/20 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
Hydrochloric Acid SCHEMBL10395823 0.98 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL718095 0.87 CES2 (0.56) CES2CES1HSD11B1MEN1KMT2A
SCHEMBL29591363 0.87 CES2 (0.56) CES2CES1HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL15565860 0.85 CES2 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29990216 0.84 CES2 (0.52) CES2CES1HSD11B1MEN1KMT2A
SCHEMBL4006843 0.84 CES2 (0.52) CES2CES1HSD11B1MEN1KMT2A
SCHEMBL717435 0.84 CES2 (0.52) CES2CES1HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL15566176 0.83 SLC6A2 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL716489 0.82 CES2 (0.50) CES2CES1HSD11B1MEN1KMT2A
SCHEMBL20524724 0.81 CES2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C

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-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
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-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
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
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-1461338-B1 IMPROVED PROCESS FOR THE PREPARATION OF 3-(2-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)ETHYL)-6,7,8,9-TETRAHYDRO-2-METHYL-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE EGIS GYOGYSZERGYAR NYRT (HU) 2007-05-02 EP disclosed
US-4723009-A USING 1-OXA-6-AZA SPIRO(2,5)OCTANE COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-02-02 US disclosed
US-4710573-A PSYCHOLOGICAL DISORDERS HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1987-12-01 US disclosed
EP-0229897-A1 Alpha1-adrenergic-blocking theophylline derivatives SIEGFRIED AKTIENGESELLSCHAFT (CH) 1987-07-29 EP disclosed
US-4670447-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AND HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-02 US disclosed
US-4668786-A ANTIANAPHYLACTIC AGENTS, ADRENERGIC STIMULANTS SIEGFRIED AKTIENGESELLSCHAFT (CH) 1987-05-26 US disclosed
US-4654336-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-03-31 US disclosed
WO-1987000841-A1 NEW THEOPHYLLINE DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF THIELE KURT (CH) 1987-02-12 WO disclosed
EP-0200052-A2 Ethanobenzazepines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-11-05 EP disclosed
US-4603204-A Theophylline derivatives SIEGFRIED AKTIENGESELLSCHAFT (CH) 1986-07-29 US disclosed
EP-0135781-A1 3-(Piperidinyl)- and 3-(pyrrolidinyl)-1H-indazoles, a process for their preparation and their use as a medicament HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-04-03 EP 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 HTR3E 203/4885HTR3B 96/4885HTR3A 135/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 HTR3E 203/4885HTR3B 96/4885HTR3A 135/4885

“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.