SCHEMBL729016

SCHEMBL729016

C=CCOC(=O)NC(=O)OCC=C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 2/20 0.41
CASP1 P29466 8/20 0.40
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6993745 0.89 MAPT (0.43) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL1076421 0.88 MAPT (0.46) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL1023939 0.88 MAPT (0.60) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL2357850 0.86 MAPT (0.44) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL9425493 0.86 MAPT (0.48) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL7312659 0.83 MAPT (0.50) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL328943 0.82
SCHEMBL890269 0.82
SCHEMBL28702820 0.81 MAPT (0.41) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL28705970 0.81 MAPT (0.41) MAPTCACNA1BAPBA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604200-B2 Diaza-spiro-{4,4}-nonane derivatives as neurokinin (NK1) antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-12-10 US claimed
US-8138334-B2 Substituted oxa-diaza-spiro-[5.5]-undecanone derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US claimed
JP-4746878-B2 2011-08-10 JP claimed
JP-4674086-B2 2011-04-20 JP claimed
JP-4660199-B2 2011-03-30 JP claimed
EP-1581518-B1 SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-03-02 EP claimed
US-20100292228-A1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-18 US claimed
US-7795261-B2 Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US claimed
EP-1858896-B1 DIAZA-SPIRO-[4.4]-NONANE DERIVATIVES AS NEUROKININ (NK1) ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-18 EP claimed
EP-1874783-B1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-05-26 EP claimed
US-20060040950-A1 Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US claimed
WO-2005097774-A1 SUBSTITUTED 4-ALKYL- AND 4-ALKANOYL-PIPERIDINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-20 WO claimed
EP-1581517-A1 SUBSTITUTED 1-PIPERIDIN-4-YL-4-AZETIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-05 EP claimed
EP-1581518-A2 SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-05 EP claimed
EP-1551804-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2005-07-13 EP claimed
WO-2004056800-A1 SUBSTITUTED 1-PIPERIDIN-4-YL-4-AZETIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO claimed
WO-2004056799-A2 SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO claimed
WO-2004033428-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-22 WO claimed
US-3991040-A Aromatic imidodicarboxylic acid diallyl esters, prepolymers thereof, cured resins thereof, and processes for producing these TEIJIN LIMITED (JA) 1976-11-09 US claimed
US-3931224-A Aromatic imidodicarboxylic acid diallyl esters, prepolymers thereof, cured resins thereof, and processes for producing these TEIJIN LIMITED (JA) 1976-01-06 US claimed

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-20100292228-A1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS NPSR1, OPRK1, PROKR2 MAPT 3836/4885CACNA1B 1524/4885APBA1 3298/4885
US-20060040950-A1 Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists NPSR1, TACR1, VIP MAPT 3368/4885CACNA1B 1712/4885APBA1 3251/4885

“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.