SCHEMBL20531968

SCHEMBL20531968

C[C@@H]1CN(c2ccc3c(=O)c(C(=O)NC(C)(C)C(F)F)cn(-c4c(F)cc(F)cc4F)c3n2)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN9A Q15858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
EPHA2 P29317 1/20 0.32
FLT4 P35916 1/20 0.32
GSK3B P49841 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL22331691 1.00 IMPDH2 (0.33) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL22331689 0.90 IMPDH2 (0.34) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL22591003 0.89 KDM4E (0.34) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL19783953 0.89 KDM4E (0.34) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL18313222 0.88 CMA1 (0.34) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL18313654 0.88 ALDH1A1 (0.32) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL22591921 0.88 ALDH1A1 (0.32) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL18313116 0.87 KDM4E (0.32) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL18313268 0.86 KDM4E (0.35) IMPDH2KDM4EALDH1A1LMNAPOLB
SCHEMBL18312809 0.85 EPHA2 (0.43) KDM4EALDH1A1LMNAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-18 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 (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-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR CHRM2, CHRM1, CHRM3 IMPDH2 2662/4885KDM4E 2769/4885ALDH1A1 4456/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 IMPDH2 2662/4885KDM4E 2769/4885ALDH1A1 4456/4885

“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.