SCHEMBL2949898

SCHEMBL2949898

CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@H](C(=O)O)CC2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGD P15428 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
RECQL P46063 1/20 0.39
NR1H2 P55055 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PREP P48147 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2949901 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2TP53CHRM2CHRM1
SCHEMBL5619854 0.92 CHRM2 (0.46) SMN1; SMN2TP53CHRM2CHRM1CHRM3
SCHEMBL2945458 0.88 NR1H2 (0.41) SMN1; SMN2TP53CHRM2CHRM1CHRM3
SCHEMBL2945459 0.88 NR1H2 (0.41) SMN1; SMN2TP53CHRM2CHRM1CHRM3
SCHEMBL1583349 0.87 CHRM2 (0.49) SMN1; SMN2TP53CHRM2CHRM1CHRM3
SCHEMBL1663196 0.87 CHRM2 (0.49) SMN1; SMN2TP53CHRM2CHRM1CHRM3
SCHEMBL1583351 0.87 CHRM2 (0.49) SMN1; SMN2TP53CHRM2CHRM1CHRM3
SCHEMBL1583858 0.87 TP53 (0.44) SMN1; SMN2TP53CHRM2CHRM1CHRM3
SCHEMBL3069589 0.85 EPHX1 (0.47) TP53CHRM2CHRM1CHRM3DDB1
SCHEMBL3451214 0.84 DDB1 (0.44) SMN1; SMN2TP53CHRM2CHRM1CHRM3

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 13 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-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
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-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 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
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 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 HSD17B10 943/4885SMN1; SMN2 4447/4885TP53 3379/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 HSD17B10 810/4885SMN1; SMN2 4490/4885TP53 3516/4885

“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.