SCHEMBL5212828

SCHEMBL5212828

O=S(=O)(c1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HTR2C P28335 5/20 0.46
HTR2A P28223 5/20 0.46
KCNH2 Q12809 4/20 0.46
HTR2B P41595 1/20 0.45
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
NFKB1 P19838 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA6 Q16445 1/20 0.41
HTR6 P50406 3/20 0.40
NAMPT P43490 2/20 0.39

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 SCHEMBL4095644 0.98 CYP11B1 (0.48) CYP11B1CYP11B2HTR2CHTR2AKCNH2
SCHEMBL28243003 0.89 HTR6 (0.44) CYP11B1CYP11B2HTR2CHTR2AKCNH2
SCHEMBL20002842 0.89 HTR6 (0.44) CYP11B1CYP11B2HTR2CHTR2AKCNH2
SCHEMBL644453 0.86 HTR2A (0.51) HTR2CHTR2AKCNH2PTGS2LMNA
Tert-Butyl Formate SCHEMBL28072617 0.85 CYP11B1 (0.43) CYP11B1CYP11B2HTR2CHTR2AKCNH2
SCHEMBL3240288 0.82 HTR2A (0.49) HTR2CHTR2AKCNH2PTGS2DRD2
SCHEMBL643581 0.82 HTR2A (0.49) HTR2CHTR2AKCNH2PTGS2CYP3A4
SCHEMBL2798239 0.81 MAPT (0.50) HTR2CHTR2AKCNH2LMNACYP3A4
SCHEMBL18318428 0.81 NAMPT (0.42) CYP11B1CYP11B2HTR2CHTR2AKCNH2
SCHEMBL12017803 0.81 HTR6 (0.46) LMNACYP3A4GABRA1TSHRGABRG2

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 83 patents — showing the first 20. 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-10738046-B2 Substituted pyrido[3,4-b]pyrazines as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-11 US 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-10273225-B2 Pyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-30 US disclosed
CN-106103421-B The pyrazine regulator of GPR6 武田药品工业株式会社 2019-04-09 CN disclosed
EP-3453709-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2019-03-13 EP disclosed
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 Taketa Pharmaceutical Company Limited (JP) 2019-01-15 US disclosed
US-20180346464-A1 SUBSTITUTED PYRIDO[3,4-b]PYRAZINES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2018-12-06 US disclosed
CN-108658978-A The tetrahydropyridine and pyrazine conditioning agent of GPR6 武田药品工业株式会社 2018-10-16 CN disclosed
EP-0749971-A1 Thiopyran derivatives SUNTORY LIMITED (JP) 1996-12-27 EP disclosed
EP-0749967-A1 Substituted benzothiazine derivative SUNTORY LIMITED (JP) 1996-12-27 EP disclosed
EP-0441349-B1 Pyrroloazepine derivatives SUNTORY LTD (JP) 1996-01-03 EP disclosed
EP-0686632-A1 BENZOTHIAZINE DERIVATIVE SUNTORY LIMITED (JP) 1995-12-13 EP disclosed
US-5416082-A Antiserotonine agents SUNTORY LIMITED (JP) 1995-05-16 US disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed
US-5206239-A Cardiovascular disorders SUNTORY LIMITED (JP) 1993-04-27 US disclosed
EP-0441349-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1991-08-14 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 (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-10597392-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 CYP11B1 578/4885CYP11B2 466/4885HTR2C 191/4885
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 CYP11B1 578/4885CYP11B2 466/4885HTR2C 191/4885
US-20180346464-A1 SUBSTITUTED PYRIDO[3,4-b]PYRAZINES AS GPR6 MODULATORS GPR6, GPR65, GPR55 CYP11B1 460/4885CYP11B2 468/4885HTR2C 237/4885
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 CYP11B1 501/4885CYP11B2 435/4885HTR2C 217/4885
US-10273225-B2 Pyrazines as modulators of GPR6 GPR6, GPR65, GPR52 CYP11B1 372/4885CYP11B2 331/4885HTR2C 435/4885
US-10738046-B2 Substituted pyrido[3,4-b]pyrazines as GPR6 modulators GPR6, GPR65, GPR55 CYP11B1 460/4885CYP11B2 468/4885HTR2C 237/4885

“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.