SCHEMBL3274229

SCHEMBL3274229

C1CCC(NC2CCCCC2)CC1.O=C(O)CN(C(=O)OCc1ccccc1)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.46
KMT2A Q03164 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CTRB1 P17538 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2806846 0.82 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1SIGMAR1
SCHEMBL4016879 0.82 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1SIGMAR1
SCHEMBL2007920 0.79 ALDH1A1 (0.54) KMT2AALDH1A1TSHRSIGMAR1
SCHEMBL3639676 0.75 FKBP1A (0.48) KMT2AALDH1A1SIGMAR1
SCHEMBL22285161 0.75 ENPP2 (0.57) ALDH1A1L3MBTL1SIGMAR1
SCHEMBL190556 0.75 ENPP2 (0.57) ALDH1A1L3MBTL1SIGMAR1
SCHEMBL13434275 0.74 SMN1; SMN2 (0.54) KMT2AALDH1A1NPSR1L3MBTL1
SCHEMBL7801189 0.73 ENPP2 (0.55) TSHRL3MBTL1SIGMAR1
SCHEMBL876820 0.73 SIGMAR1 (0.53) SIGMAR1
SCHEMBL2273359 0.72 SMN1; SMN2 (0.57) KMT2AALDH1A1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173709-A2 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS Phenomix Corporation (US) 2010-04-14 EP disclosed
US-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2010-04-08 US disclosed
CN-101679238-A methods and intermediates for synthesis of selective dpp-iv inhibitors PHENOMIX CORP 2010-03-24 CN disclosed
WO-2009094462-A1 A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PYRROLIDIN-3-YL-GLYCYLAMINOALKYLBORONATES PHENOMIX CORPORATION (US) 2009-07-30 WO disclosed
WO-2008109681-A2 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2008-09-12 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 (1 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-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS DPP4, DPP3, DPP7 PREP 19/4885KMT2A 3846/4885GFER 3248/4885

“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.