SCHEMBL253464

SCHEMBL253464

[CH]1CCC2(CC1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1373465 0.88 TSHR (0.30)
SCHEMBL1809810 0.75 L3MBTL1 (0.32) POLBKDM4E
SCHEMBL2236435 0.75
SCHEMBL8574292 0.75
SCHEMBL755867 0.73
SCHEMBL445289 0.73 HSD11B1 (0.31)
SCHEMBL5665559 0.71
SCHEMBL4383265 0.71
SCHEMBL3225586 0.69
SCHEMBL1169615 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US claimed
EP-3652174-A1 TAM KINASE INHIBITORS Syros Pharmaceuticals, Inc. (US) 2020-05-20 EP claimed
EP-3619200-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2020-03-11 EP claimed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US claimed
WO-2019014513-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2019-01-17 WO claimed
WO-2018202694-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.P.A. (IT) 2018-11-08 WO claimed
EP-3398941-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2018-11-07 EP claimed
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP claimed
US-9376422-B2 Dihidropyridin-2-one benzamine compounds Epizyme, Inc. (US) 2016-06-28 US claimed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP claimed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO claimed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US claimed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US claimed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US claimed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP claimed
EP-0309913-B1 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF AG (DE) 1994-06-15 EP claimed
US-5068245-A For treatment of plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US claimed
EP-0309913-A2 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF Aktiengesellschaft (DE) 1989-04-05 EP 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 (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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 NPC1 468/4885POLB 4137/4885KDM4E 4268/4885
US-11623919-B2 Heterocyclic P2X7 antagonists P2RY1, P2RX1, P2RX3 NPC1 468/4885POLB 4137/4885KDM4E 4268/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP NPC1 407/4885POLB 1598/4885KDM4E 1680/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR NPC1 440/4885POLB 2091/4885KDM4E 2367/4885

“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.