Sugi Predict

Sugi Predict / Compounds / SCHEMBL2670366

SCHEMBL2670366

SCHEMBL2670366

Cc1c(N2CCC3CCC[C@@]3(N)C2)ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.63
▸ KCNH2 Q12809 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ TOP2A P11388 9/20 0.34
▸ TOP1 P11387 3/20 0.34
▸ TOP2B Q02880 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL2670118 0.90 CYP3A4 (0.63) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL14343103 0.90 CYP3A4 (0.63) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL2082941 0.89 CYP3A4 (0.76) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL2082942 0.89 CYP3A4 (0.76) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL2081915 0.87 CYP3A4 (0.81) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL2081913 0.87 CYP3A4 (0.81) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL2670306 0.85 KCNH2 (0.53) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL13436008 0.82 CYP3A4 (0.67) CYP3A4KCNH2ALDH1A1POLBCHRM2
SCHEMBL2670679 0.82 CYP3A4 (0.57) CYP3A4KCNH2TOP2ATOP1TOP2B
SCHEMBL3979578 0.81 CYP3A4 (0.55) CYP3A4KCNH2ALDH1A1POLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US claimed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US claimed
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 CYP3A4 153/4885KCNH2 193/4885ALDH1A1 2730/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KCNH2 193/4885ALDH1A1 2730/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KCNH2 193/4885ALDH1A1 2730/4885

“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.