SCHEMBL799513

SCHEMBL799513

CN1CCN2C(=O)OCC2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
PDE4B Q07343 4/20 0.36
LTA4H P09960 2/20 0.34
DPP4 P27487 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
LRRK2 Q5S007 3/20 0.32
PDE4D Q08499 2/20 0.32
NOTUM Q6P988 1/20 0.31
DRD2 P14416 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL19370310 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BPDE4BLTA4H
SCHEMBL19370311 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BPDE4BLTA4H
SCHEMBL15185051 0.82 PDE4B (0.37) PDE4BPDE4DNOTUM
SCHEMBL19708769 0.81 HTR2A (0.39) HTR2AHTR2CHTR2BEIF2AK4
SCHEMBL20940079 0.78 LTA4H (0.40) PDE4BLTA4HDPP4LRRK2PDE4D
SCHEMBL23138573 0.77 LTA4H (0.34) PDE4BLTA4HDPP4EIF2AK4NOTUM
SCHEMBL18590395 0.77 LTA4H (0.36) PDE4BLTA4HDPP4EIF2AK4NOTUM
SCHEMBL18590394 0.77 LTA4H (0.36) PDE4BLTA4HDPP4EIF2AK4NOTUM
SCHEMBL16853906 0.77 LTA4H (0.34) PDE4BLTA4HDPP4EIF2AK4NOTUM
SCHEMBL15451877 0.77 LTA4H (0.41) PDE4BLTA4HDPP4EIF2AK4LRRK2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223759-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Broadenbio Co., Ltd. (CN) 2023-08-09 EP disclosed
WO-2023114157-A2 PYRAZOLOPYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2023-06-22 WO disclosed
WO-2023034812-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2022095904-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京伯汇生物技术有限公司 2022-05-12 WO disclosed
WO-2020247298-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-10 WO disclosed
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 WO disclosed
WO-2019113175-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-06-13 WO disclosed
EP-3083615-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-04-17 EP disclosed
WO-2015104356-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20150175597-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-06-25 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH INC (US) 2014-01-30 US disclosed
WO-2014009447-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 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 (7 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 HTR2A 174/4885HTR2C 184/4885HTR2B 201/4885
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA HTR2A 787/4885HTR2C 615/4885HTR2B 1015/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 HTR2A 174/4885HTR2C 184/4885HTR2B 201/4885
US-20150175597-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS DAPK1, BAD, FASTKD1 HTR2A 4830/4885HTR2C 4863/4885HTR2B 4849/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 HTR2A 4335/4885HTR2C 4192/4885HTR2B 4403/4885
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA HTR2A 801/4885HTR2C 609/4885HTR2B 1026/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 HTR2A 174/4885HTR2C 184/4885HTR2B 201/4885

“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.