SCHEMBL2467277

SCHEMBL2467277

CC(C)(C)C(O)CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ECE1 P42892 4/20 0.33
CYP2C19 P33261 2/20 0.32
PGD P52209 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 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
SCHEMBL3378767 0.82 PGD (0.34) TSHRCYP2C19PGDL3MBTL1KDM4E
SCHEMBL10034531 0.81 ECE1 (0.35) TSHRECE1CYP2C19KDM4EGMNN
SCHEMBL667280 0.76 PGD (0.50) TSHRCYP2C19PGDLMNATDP1
SCHEMBL6448088 0.76 ALDH1A1 (0.46) TSHRCYP2C19PGDALDH1A1TDP1
SCHEMBL6803525 0.76 PGD (0.50) TSHRCYP2C19PGDLMNATDP1
SCHEMBL6805671 0.76 PGD (0.50) TSHRCYP2C19PGDLMNATDP1
SCHEMBL6448085 0.76 ALDH1A1 (0.46) TSHRCYP2C19PGDALDH1A1TDP1
SCHEMBL9574851 0.74 CYP2C19 (0.52) CYP2C19KDM4EGMNNUSP2ALDH1A1
SCHEMBL12081424 0.74 TSHR (0.43) TSHRCYP2C19PGD
SCHEMBL15415836 0.74 CETP (0.48) CYP2C19KDM4EGMNNUSP2ALDH1A1

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-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
EP-4007571-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS FOR USE IN EPILEPSY OR SEIZURES H. Lundbeck A/S (DK) 2022-06-08 EP disclosed
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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 (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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 TSHR 697/4885ECE1 1625/4885CYP2C19 449/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE TSHR 1086/4885ECE1 51/4885CYP2C19 418/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 TSHR 1084/4885ECE1 193/4885CYP2C19 2621/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 TSHR 693/4885ECE1 1676/4885CYP2C19 415/4885

“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.