SCHEMBL3890243

SCHEMBL3890243

BrCC1(c2ccccc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.63
SLC6A4 P31645 3/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3890069 0.91 MAOA (0.60) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL3891504 0.78 SLC6A3 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL16515960 0.78 DPP4 (0.53) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL497930 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL1152119 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL6409381 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL9330358 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL294582 0.77 DPP4 (1.00) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL19382461 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL8122483 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105722831-B Pyridazinone compound and application thereof 艾丽奥斯生物制药有限公司 2019-08-06 CN disclosed
US-10364226-B2 Pyridazinone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-07-30 US disclosed
EP-3030549-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA INC (US) 2019-02-20 EP disclosed
US-20160221963-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2016-08-04 US disclosed
CN-105722831-A Pyridazinone compounds and uses thereof 艾丽奥斯生物制药有限公司 2016-06-29 CN disclosed
EP-3030549-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF Alios Biopharma, Inc. (US) 2016-06-15 EP disclosed
WO-2015038660-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2015-03-19 WO disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
EP-0867183-B1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 US disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 US disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 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 (4 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-20160221963-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF PDXK, PNPO, PLPBP DPP4 41/4885SLC6A4 3240/4885SLC6A2 4265/4885
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R DPP4 2185/4885SLC6A4 1503/4885SLC6A2 2045/4885
US-10364226-B2 Pyridazinone compounds and uses thereof PDXK, PNPO, PLPBP DPP4 41/4885SLC6A4 3240/4885SLC6A2 4265/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R DPP4 2185/4885SLC6A4 1503/4885SLC6A2 2045/4885

“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.