SCHEMBL2945459

SCHEMBL2945459

COC(=O)C1CCC(N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.37
FPR2 P25090 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2945458 1.00 NR1H2 (0.41) NR1H2ALDH1A1SMN1; SMN2TP53PTPN2
SCHEMBL5619854 0.90 CHRM2 (0.46) NR1H2ALDH1A1SMN1; SMN2TP53DDB1
SCHEMBL2949898 0.88 HSD17B10 (0.46) NR1H2ALDH1A1SMN1; SMN2TP53PTPN2
SCHEMBL2949901 0.88 HSD17B10 (0.46) NR1H2ALDH1A1SMN1; SMN2TP53PTPN2
SCHEMBL1583351 0.85 CHRM2 (0.49) NR1H2ALDH1A1SMN1; SMN2TP53DDB1
SCHEMBL1583349 0.85 CHRM2 (0.49) NR1H2ALDH1A1SMN1; SMN2TP53DDB1
SCHEMBL1663196 0.85 CHRM2 (0.49) NR1H2ALDH1A1SMN1; SMN2TP53DDB1
SCHEMBL1583858 0.84 TP53 (0.44) NR1H2ALDH1A1SMN1; SMN2TP53DDB1
SCHEMBL3069589 0.83 EPHX1 (0.47) NR1H2ALDH1A1TP53DDB1CRBN
SCHEMBL17894031 0.83 BRD4 (0.40) ALDH1A1PTPN2PTPN1PTPN6DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
CN-100344632-C Fused furan compound TANABE SEIYAKU CO (JP) 2007-10-24 CN disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
CN-1723210-A Fused furan compound TANABE SEIYAKU CO (JP) 2006-01-18 CN disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 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 (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-20090156803-A1 Condensed furan compounds F2, F12, F11 NR1H2 627/4885ALDH1A1 1627/4885SMN1; SMN2 4447/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 NR1H2 464/4885ALDH1A1 1674/4885SMN1; SMN2 4490/4885

“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.