SCHEMBL498042

SCHEMBL498042

[CH2]C(=O)N(C(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC7A5 Q01650 1/20 0.30
BCHE P06276 1/20 0.30
TP53 P04637 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
SCHEMBL498403 0.79
SCHEMBL9301268 0.78 TP53 (0.35) TP53
SCHEMBL8439081 0.72 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7ALDH1A1
SCHEMBL10871210 0.72 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7ALDH1A1
SCHEMBL497743 0.71 TSHR (0.32) ALDH1A1
SCHEMBL5826301 0.71 SMN1; SMN2 (0.32)
SCHEMBL28497682 0.71 CA1 (0.33) P2RX4P2RX1P2RX3P2RX7
SCHEMBL498296 0.71
SCHEMBL82497 0.69 TSHR (0.33) P2RX4P2RX1P2RX3P2RX7ALDH1A1
SCHEMBL42466 0.69 P2RX4 (0.32) P2RX4P2RX1P2RX3P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP claimed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US claimed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 WO claimed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed
US-11938233-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2024-03-26 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
EP-4169575-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS Sato Pharmaceutical Co., Ltd. (JP) 2023-04-26 EP disclosed
CN-115667259-A Condensed ring compounds for inhibiting H-PGDS 佐藤制药株式会社 2023-01-31 CN disclosed
US-20220054671-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2022-02-24 US disclosed
US-4950648-A SUBSTITUTED PYRIDO(2,3-D) OR PYRIMIDO(4,5-D) PYRIMIDINE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-08-21 US disclosed
EP-0192255-B1 BIS-2H-PYRROLIDINE DIONES CIBA-GEIGY AG (CH) 1990-08-08 EP disclosed
EP-0316668-A2 Use of a tetrahydro-pyrido(2,3-d)pyrimidine for obtaining an analgetic agent MERCK PATENT GmbH (DE) 1989-05-24 EP disclosed
US-4789674-A ALZHEIMER'S DISEASE, MEMORY, DEMENTIA CIBA-GEIGY CORPORATION (US) 1988-12-06 US disclosed
US-4758575-A Bi-2H-pyrroli(di)nediones CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
EP-0192255-A2 Bis-2H-pyrrolidine diones CIBA-GEIGY AG (CH) 1986-08-27 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-20220054671-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF DHPS, SQLE, CYP51A1 P2RX4 4561/4885P2RX1 4484/4885P2RX3 4545/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 P2RX4 67/4885P2RX1 41/4885P2RX3 57/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS P2RX4 2729/4885P2RX1 1787/4885P2RX3 2026/4885
US-11938233-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 P2RX4 4561/4885P2RX1 4484/4885P2RX3 4545/4885

“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.