SCHEMBL2183340

SCHEMBL2183340

CC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2C)C[C@H]1NC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
POLB P06746 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
PMP22 Q01453 1/20 0.41
LMNA P02545 2/20 0.40
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TOP1 P11387 1/20 0.39
AADAT Q8N5Z0 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39

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
SCHEMBL3389116 0.93 KCNH2 (0.49) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3391189 0.93 KCNH2 (0.49) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3389893 0.93 KCNH2 (0.49) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2183185 0.89 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2182240 0.88 KCNH2 (0.54) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2184563 0.88 KCNH2 (0.54) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13007029 0.86 KCNH2 (0.50) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2182025 0.86 KCNH2 (0.52) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2183543 0.84 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL2183969 0.83 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 (2 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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 KCNH2 61/4885KDM4E 2368/4885ALDH1A1 2627/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL KCNH2 324/4885KDM4E 1998/4885ALDH1A1 2155/4885

“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.