SCHEMBL175573

SCHEMBL175573

C=CCC(=O)[N]C(=O)CC=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
LMNA P02545 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
SCHEMBL7487256 0.86
SCHEMBL7486373 0.84
SCHEMBL2283357 0.79
SCHEMBL4560663 0.79
SCHEMBL2467227 0.77
SCHEMBL4618922 0.77
SCHEMBL31385 0.77
SCHEMBL700524 0.77
SCHEMBL8777745 0.77
SCHEMBL11125397 0.73

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 220 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-4662777-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-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP 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
WO-1999029677-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1999-06-17 WO claimed
WO-1999021841-A1 SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1999-05-06 WO claimed
WO-1999012913-A1 SUBSTITUTED PHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO claimed
WO-1995022586-A1 NEW POLYMERISABLE LIQUID CRYSTAL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1995-08-24 WO claimed
EP-0410238-A2 Pyridazinone derivatives BAYER AG (DE) 1991-01-30 EP claimed
US-4906286-A Herbicidal 2-aryl-1,2,4-triazine-3,5(2H,4H)-diones and sulfur analogs thereof FMC CORPORATION (US) 1990-03-06 US claimed
EP-0185731-A4 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1988-11-02 EP claimed
US-4766233-A Herbicidal 2-aryl-1,2,4-triazine-3,5(2H,4H)-diones and sulfur analogs thereof FMC CORPORATION (US) 1988-08-23 US claimed
EP-0185731-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1986-07-02 EP claimed
WO-1986000072-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1986-01-03 WO 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 (1 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 TSHR 2386/4885LMNA 949/4885

“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.