SCHEMBL2769012

SCHEMBL2769012

C1CCC(CCCN2CCNCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.51
CXCR4 P61073 3/20 0.50
GNAO1 P09471 1/20 0.46
SIGMAR1 Q99720 6/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1623678 0.88 RAD52 (0.55) RAD52CXCR4GNAO1SIGMAR1CYP1A2
Piperazine SCHEMBL27980932 0.86 RAD52 (0.53) RAD52CXCR4GNAO1SIGMAR1CYP1A2
SCHEMBL11181437 0.86 RAD52 (0.52) RAD52CXCR4GNAO1SIGMAR1CYP1A2
SCHEMBL7122133 0.85 GNAO1 (0.54) RAD52CXCR4GNAO1
SCHEMBL9824369 0.85 GNAO1 (0.54) RAD52CXCR4GNAO1
SCHEMBL5467402 0.84 CYP1A2 (0.48) SIGMAR1CYP1A2CHRM5
SCHEMBL30115019 0.84 HRH3 (0.54) SIGMAR1CYP1A2CHRM5
SCHEMBL30115021 0.84 HRH3 (0.54) SIGMAR1CYP1A2CHRM5
SCHEMBL26067156 0.83 GNAO1 (0.43) GNAO1SIGMAR1
SCHEMBL24319448 0.83 GNAO1 (0.53) RAD52CXCR4GNAO1SIGMAR1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640712-B1 2-PIPERAZIN-1-YL-4H-1,3-BENZOTHIAZIN-4-ONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF MAMMALIAN INFECTIONS ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2018-07-11 EP disclosed
CN-107011287-A The ketone derivatives of 2 piperazine, 1 base 4H, 1,3 benzothiazines 4 and its purposes for treating mammalian infections 洛桑联邦理工学院(EPFL) 2017-08-04 CN disclosed
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
EP-2640712-A1 2-PIPERAZIN-1-YL-4H-1,3-BENZOTHIAZIN-4-ONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF MAMMALIAN INFECTIONS Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2013-09-25 EP 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
WO-2012066518-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) 2012-05-24 WO disclosed
EP-1627871-B1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE ASKA PHARM CO LTD (JP) 2010-04-14 EP disclosed
US-7449466-B2 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-11 US disclosed
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1627871-A1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE Teikoku Hormone Mfg. Co., Ltd. (JP) 2006-02-22 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-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 RAD52 2749/4885CXCR4 1577/4885GNAO1 2647/4885
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative SHBG, STS, ARSA RAD52 2852/4885CXCR4 3689/4885GNAO1 3885/4885

“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.