SCHEMBL4747781

SCHEMBL4747781

Cc1c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.39
▸ MAPT P10636 1/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ TOP2A P11388 5/20 0.34
▸ TOP2B Q02880 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ RORC P51449 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL7505158 0.89 NOTUM (0.37) NOTUMMAPTSCN5ATOP2ATOP2B
SCHEMBL8563762 0.86 KCNH2 (0.36) NOTUMMAPTSCN5ATOP2ATOP2B
Hydrochloric Acid SCHEMBL7504444 0.85 KCNH2 (0.35) NOTUMMAPTSCN5ATOP2ATOP2B
SCHEMBL14515902 0.85 SCN5A (0.40) NOTUMSCN5AKDM4EKCNH2HRH3
SCHEMBL20960262 0.84 TOP2A (0.38) NOTUMTOP2ATOP2BKDM4ESMN1; SMN2
SCHEMBL5241608 0.84 NOTUM (0.36) NOTUMSCN5ATOP2ATOP2BKDM4E
SCHEMBL8566201 0.83 KDM4E (0.43) SCN5ATOP2AKDM4EKCNH2HRH3
Hydrochloric Acid SCHEMBL8567838 0.83 KDM4E (0.40) NOTUMSCN5AKDM4EKCNH2RORC
SCHEMBL8565386 0.83 SCN5A (0.41) NOTUMSCN5ATOP2ATOP2BKCNH2
SCHEMBL12502227 0.83 TOP2A (0.45) NOTUMTOP2ATOP2BKDM4ESMN1; SMN2

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-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US 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
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 NOTUM 4466/4885MAPT 3833/4885SCN5A 355/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 NOTUM 4466/4885MAPT 3833/4885SCN5A 355/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 NOTUM 4466/4885MAPT 3833/4885SCN5A 355/4885

“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.

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