Sugi Predict

Sugi Predict / Compounds / SCHEMBL4748025

SCHEMBL4748025

SCHEMBL4748025

C[C@H](c1ccccc1)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ UTS2R Q9UKP6 3/20 0.35
▸ KCNA3 P22001 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34

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
SCHEMBL6008976 0.87 KMT2A (0.39) KMT2AUTS2RCTSLCTSK
SCHEMBL31401115 0.87 KMT2A (0.39) KMT2AUTS2RCTSLCTSK
SCHEMBL2671260 0.86 UTS2R (0.37) KMT2AUTS2RCTSKOPRL1
SCHEMBL2671027 0.86 UTS2R (0.37) KMT2AUTS2RCTSKOPRL1
SCHEMBL2082032 0.85 DRD4 (0.39) UTS2RCTSLCCR5OPRM1OPRD1
SCHEMBL2082035 0.85 DRD4 (0.39) UTS2RCTSLCCR5OPRM1OPRD1
SCHEMBL4749646 0.85 UTS2R (0.34) KMT2AL3MBTL1UTS2RCTSKCCR5
SCHEMBL4749729 0.85 UTS2R (0.34) KMT2AL3MBTL1UTS2RCTSKCCR5
SCHEMBL2670666 0.83 UTS2R (0.36) KMT2AUTS2RCTSLCTSKCCR5
SCHEMBL2670542 0.83 UTS2R (0.35) KMT2AL3MBTL1UTS2RCTSKCCR5

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
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — 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
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 KMT2A 2847/4885L3MBTL1 1846/4885PSEN1 3923/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885PSEN1 3923/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885PSEN1 3923/4885

“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.