SCHEMBL17009558

SCHEMBL17009558

COc1ccc(CN2CCNCC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
SLC6A4 P31645 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
APOBEC3A P31941 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
ADRB2 P07550 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MTNR1B P49286 2/20 0.49
HTR6 P50406 1/20 0.48
CXCR3 P49682 1/20 0.48

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
SCHEMBL2734475 0.88 MTNR1B (0.61) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL21338488 0.85 KDM4E (0.64) ADRB2KDM4ELMNATSHRMEN1
SCHEMBL392360 0.84 CYP1A2 (0.62) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL17696097 0.84 HTR3E (0.57) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL1394116 0.84 KDM4E (0.54) ADRB2KDM4ELMNATSHRMEN1
SCHEMBL17009554 0.83 SOS1 (0.46) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Hydrochloric Acid SCHEMBL17009597 0.82 GPR6 (0.45) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL23179562 0.81 ADRB2 (0.57) OPRD1ADRB2KDM4ELMNATSHR
SCHEMBL7300721 0.81 CYP1A2 (0.62) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL6329378 0.80 ADRB2 (0.56) OPRD1ADRB2KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105230-B1 PYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2021-04-07 EP disclosed
US-10597392-B2 Tetrahydropyridopyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-03-24 US disclosed
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 ENVOY THERAPEUTICS, INC. 2019-08-29 US disclosed
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 Taketa Pharmaceutical Company Limited (JP) 2019-01-15 US disclosed
US-20170174677-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 ENVOY THERAPEUTICS, INC. 2017-06-22 US disclosed
EP-3105230-A1 PYRIDOPYRAZINES MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2016-12-21 EP disclosed
WO-2015123505-A1 PYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 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 (4 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-10597392-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 CYP1A2 732/4885CHRM2 166/4885SLC6A4 468/4885
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 CYP1A2 732/4885CHRM2 166/4885SLC6A4 468/4885
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 CYP1A2 760/4885CHRM2 197/4885SLC6A4 485/4885
US-20170174677-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 CYP1A2 760/4885CHRM2 197/4885SLC6A4 485/4885

“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.