Sugi Predict

Sugi Predict / Compounds / SCHEMBL2670459

SCHEMBL2670459

SCHEMBL2670459

COC(=O)[C@@]12CCC3(SCCS3)[C@@]1(C)C(=O)N([C@H](C)c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ OPRL1 P41146 1/20 0.37
▸ MMP1 P03956 3/20 0.35
▸ ADAM17 P78536 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MMP2 P08253 3/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ METAP2 P50579 2/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4749035 1.00 LMNA (0.42) LMNAOPRL1MMP1ADAM17KMT2A
SCHEMBL4749063 0.77 MAPT (0.40) LMNAOPRL1MMP1ADAM17KMT2A
SCHEMBL2670114 0.77 MAPT (0.40) LMNAOPRL1MMP1ADAM17KMT2A
SCHEMBL2670110 0.77 MAPT (0.40) LMNAOPRL1MMP1ADAM17KMT2A
SCHEMBL3974883 0.70 KMT2A (0.45) LMNAOPRL1KMT2AMAPTMAPK1
SCHEMBL10289406 0.70 LMNA (0.36) LMNAOPRL1KMT2AMAPTMAPK1
SCHEMBL2670161 0.70 KMT2A (0.40) OPRL1MMP1ADAM17KMT2AMMP2
SCHEMBL2670155 0.68 OPRL1 (0.39) OPRL1KMT2AMAPTMAPK1HSD11B1
SCHEMBL14671520 0.67 KMT2A (0.41) LMNAOPRL1MMP1ADAM17KMT2A
SCHEMBL14139674 0.67 HSD11B1 (0.39) OPRL1KMT2AMAPK1HSD11B1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-8618094-B2 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-31 — — US disclosed
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 — — EP disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
EP-2540715-A1 Fused substituted aminopyrrolidine derivative Daiichi Sankyo Company, Limited (JP) 2013-01-02 — — EP disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 LMNA 4207/4885OPRL1 782/4885MMP1 4300/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 LMNA 4207/4885OPRL1 782/4885MMP1 4300/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 LMNA 4207/4885OPRL1 782/4885MMP1 4300/4885

“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.