SCHEMBL2184563

SCHEMBL2184563

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.54
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
AADAT Q8N5Z0 2/20 0.42
PMP22 Q01453 1/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP2C9 P11712 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL2182240 1.00 KCNH2 (0.54) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL2183543 0.94 KCNH2 (0.53) KCNH2ALDH1A1POLBCHRM2CHRM1
Hydrochloric Acid SCHEMBL2183969 0.93 KCNH2 (0.53) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL3391221 0.93 KCNH2 (0.52) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL3388967 0.93 KCNH2 (0.52) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL3389912 0.93 KCNH2 (0.52) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL13945285 0.93 KCNH2 (0.52) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL2184824 0.89 KCNH2 (0.68) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL2181574 0.89 KCNH2 (0.56) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL2182802 0.89 KCNH2 (0.56) KCNH2ALDH1A1POLBOPRM1KDM4E

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-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-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
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 61/4885ALDH1A1 2627/4885POLB 24/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL KCNH2 324/4885ALDH1A1 2155/4885POLB 67/4885

“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.