SCHEMBL1934440

SCHEMBL1934440

CC(C)(C)OC(=O)N1CCCC(c2ccc(C=O)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
HPGDS O60760 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.44
USP30 Q70CQ3 2/20 0.43
HSD11B1 P28845 1/20 0.43
HPGD P15428 2/20 0.42
TRPV3 Q8NET8 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
FPR2 P25090 1/20 0.42
SCN9A Q15858 1/20 0.41
PRMT5 O14744 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL570438 0.88 RORC (0.45) PDE4BNAMPTUSP30GPR119
SCHEMBL16965440 0.86 NAMPT (0.58) PDE4BALDH1A1MAPTNAMPTGPR119
SCHEMBL20748135 0.86 PDE4B (0.53) PDE4BJAK2JAK1HPGDSALDH1A1
SCHEMBL18509294 0.86 GPR119 (0.54) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL28301552 0.86 PDE4B (0.53) PDE4BJAK2JAK1HPGDSALDH1A1
SCHEMBL1988650 0.85 PDE4B (0.52) PDE4BJAK2JAK1HPGDSALDH1A1
SCHEMBL1673620 0.85 FPR2 (0.55) PDE4BJAK2JAK1HPGDSALDH1A1
SCHEMBL22810473 0.85 PDE4B (0.52) PDE4BJAK2JAK1HPGDSALDH1A1
SCHEMBL1421908 0.85 PDE4B (0.52) PDE4BJAK2JAK1HPGDSALDH1A1
SCHEMBL18557979 0.85 FPR2 (0.55) PDE4BJAK2JAK1HPGDSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232575-B Pyrrole [1,2-b ] pyridazine compound or pharmaceutically acceptable salt thereof and application thereof 中国科学院上海药物研究所 2022-01-25 CN disclosed
WO-2019011217-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-01-17 WO disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PDE4B 1074/4885JAK2 1183/4885JAK1 1431/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PDE4B 1053/4885JAK2 1551/4885JAK1 1707/4885

“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.