SCHEMBL9766000

SCHEMBL9766000

Fc1ccc(C2(CCCN3CCNCC3)OCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 4/20 0.40
KCNH2 Q12809 3/20 0.40
SLC6A3 Q01959 1/20 0.40
KIF11 P52732 1/20 0.39
DRD2 P14416 4/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR1A P08908 2/20 0.35
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
HRH1 P35367 2/20 0.35

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
SCHEMBL11818822 0.84 DRD2 (0.39) SIGMAR1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL10854731 0.80 CCR5 (0.39) KCNH2GRIN1GRIN2BCHRM2HTR1A
SCHEMBL7653024 0.78 KDM4E (0.47) SIGMAR1SLC6A4DRD2GRIN1GRIN2B
SCHEMBL10507381 0.78 MAPK1 (0.60) SIGMAR1SLC6A3DRD2DRD1DRD5
SCHEMBL4054535 0.77 CYP3A4 (0.43) SLC6A2SLC6A4KCNH2SLC6A3GRIN1
SCHEMBL4053245 0.77 MEN1 (0.41) KCNH2KIF11DRD2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL9766048 0.77 SIGMAR1 (0.57) SIGMAR1DRD2HTR1A
SCHEMBL7653473 0.76 HTR7 (0.56) SLC6A4DRD2GRIN1GRIN2BHTR1A
SCHEMBL7297558 0.76 CCR3 (0.53) SIGMAR1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL11618780 0.76 HTR2A (0.57) SIGMAR1DRD2HTR2AHTR7HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796264-B2 2-piperazin-1-yl-4H-1,3-benzothiazin-4-one derivatives and their use for the treatment of mammalian infections ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-08-05 US disclosed
US-20130245007-A1 2-PIPERAZIN-1-YL-4H-1,3-BENZOTHIAZIN-4-ONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF MAMMALIAN INFECTIONS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2013-09-19 US disclosed
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP disclosed
US-4652565-A NEUROLEPTIC, HYPOTENSIVE, BRADYCARDIC SANDOZ LTD. (CH) 1987-03-24 US disclosed
US-4588725-A NEUROLEPTIC AGENTS; HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1986-05-13 US disclosed
US-4565816-A HYPOTENSIVE, BRADYCARDIAL, NEUROLEPTIC SANDOZ LTD. (CH) 1986-01-21 US disclosed
WO-1983004254-A1 PIPERAZINE DERIVATIVE COMPOUNDS, PRODUCTION METHOD THEREOF AND DRUGS CONTAINING THEM SANDOZ AG (CH) 1983-12-08 WO disclosed
US-3966735-A CENTRAL NERVOUS SYSTEM KALI-CHEMIE AKTIENGESELLSCHAFT (DT) 1976-06-29 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 (1 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-20130245007-A1 2-PIPERAZIN-1-YL-4H-1,3-BENZOTHIAZIN-4-ONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF MAMMALIAN INFECTIONS BPGM, TBC1D5, TBC1D15 SIGMAR1 3391/4885SLC6A2 4853/4885SLC6A4 4844/4885

“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.