SCHEMBL630096

SCHEMBL630096

COC(=O)C1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.71
PREP P48147 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 1/20 0.59
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KLK7 P49862 1/20 0.58
KLK5 Q9Y337 1/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL3578099 1.00 FKBP1A (0.71) FKBP1APREPNPSR1ALDH1A1CTSB
SCHEMBL4724457 0.96 PREP (0.67) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL630112 0.96 PREP (0.67) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL5525089 0.96 PREP (0.67) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL19258206 0.92 PREP (0.71) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL17469366 0.92 PREP (0.71) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL17469393 0.92 PREP (0.71) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL17469372 0.92 PREP (0.71) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL1056362 0.91 PREP (0.60) FKBP1APREPNPSR1ALDH1A1TSHR
SCHEMBL2769697 0.91 PREP (0.60) FKBP1APREPNPSR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054919-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (CN) 2024-03-14 WO disclosed
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
US-8288606-B2 Magnesium, titanium, and halogen; internal electron donor, ethyl N-Boc-sarcosine, ethyl N-propionyl sarcosine, ethyl N-Boc-pipercolinate, N-carbobenzyloxy-L-proline methyl ester; polymerize propylene and ethylene or alpha-olefin; internal modifier which does not contain a phthalate derivative INEOS USA LLC (US) 2012-10-16 US disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US disclosed
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20070010457-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-01-11 US disclosed
WO-2006110816-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
EP-1381602-A1 HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2004-01-21 EP disclosed
US-20030096737-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002085899-A1 HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-31 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 (5 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 FKBP1A 1084/4885PREP 51/4885NPSR1 1217/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF FKBP1A 610/4885PREP 59/4885NPSR1 934/4885
US-20030096737-A1 Caspase inhibitors and uses thereof CASP1, APAF1, CASP5 FKBP1A 801/4885PREP 222/4885NPSR1 4784/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 FKBP1A 1829/4885PREP 1407/4885NPSR1 4421/4885
US-20070010457-A1 Caspase inhibitors and uses thereof CASP1, APAF1, TNF FKBP1A 678/4885PREP 217/4885NPSR1 4750/4885

“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.