SCHEMBL83203

SCHEMBL83203

Fc1ccc(F)c(OC2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.62
HTR1A P08908 7/20 0.62
SLC6A3 Q01959 4/20 0.62
HRH1 P35367 3/20 0.50
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A4 P31645 4/20 0.47
NMT1 P30419 2/20 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
Hydrochloric Acid SCHEMBL69817 0.98 HTR1A (0.60) SLC6A2HTR1ASLC6A3HRH1HTR2C
SCHEMBL23161332 0.90 SLC6A2 (0.64) SLC6A2HTR1ASLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL72907 0.89 SLC6A2 (0.62) SLC6A2HTR1ASLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL23146510 0.89 SLC6A2 (0.62) SLC6A2HTR1ASLC6A3HTR2CHTR2B
SCHEMBL941030 0.86 SLC6A2 (0.58) SLC6A2HTR1ASLC6A3HRH1HTR2C
Hydrochloric Acid SCHEMBL2778482 0.85 SLC6A2 (0.56) SLC6A2HTR1ASLC6A3HRH1HTR2C
SCHEMBL20064064 0.84 FFAR4 (0.45) SLC6A2HTR1ASLC6A3
SCHEMBL1231616 0.83 SLC6A2 (0.51) SLC6A2HTR1ASLC6A3HRH1HTR2C
SCHEMBL83793 0.83 SCD (0.52) SLC6A2HTR1ASLC6A3HRH1HTR2C
SCHEMBL473045 0.83 HTR1A (0.51) SLC6A2HTR1ASLC6A3HRH1HTR2C

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 11 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-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
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 SLC6A2 178/4885HTR1A 118/4885SLC6A3 44/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SLC6A2 4356/4885HTR1A 4153/4885SLC6A3 4513/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 SLC6A2 178/4885HTR1A 118/4885SLC6A3 44/4885

“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.