SCHEMBL8295201

SCHEMBL8295201

Cc1cccc(CN2CC(C(=O)O)CC2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 3/20 0.62
HTT P42858 1/20 0.60
HPGD P15428 1/20 0.59
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BRD4 O60885 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL19304098 0.90 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1HTTHPGDL3MBTL1
SCHEMBL1902358 0.84 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1HTTHPGDL3MBTL1
SCHEMBL7456756 0.84 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HTTHPGDL3MBTL1
SCHEMBL8293397 0.84 HTT (0.71) SMN1; SMN2ALDH1A1HTTHPGDL3MBTL1
SCHEMBL7459479 0.83 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HTTHPGDL3MBTL1
SCHEMBL20676018 0.81 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1HTTHPGDTDP1
SCHEMBL19850342 0.80 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HTTHPGDL3MBTL1
SCHEMBL28007888 0.80 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL15800410 0.79 S1PR1 (0.62) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL14145859 0.77 POLB (0.51) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE 2024-06-27 US disclosed
EP-4304630-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM Research Triangle Institute (US) 2024-01-17 EP disclosed
CN-116963761-A Small molecule antagonists against relaxin-3/RXFP 3 system 研究三角协会 2023-10-27 CN disclosed
WO-2022192126-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE (US) 2022-09-15 WO disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
WO-2005014540-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2005-02-17 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 (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-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RXFP3, RXFP1, RXFP4 SMN1; SMN2 3711/4885ALDH1A1 3341/4885HTT 1614/4885
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 SMN1; SMN2 199/4885ALDH1A1 2023/4885HTT 113/4885

“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.