SCHEMBL18313670

SCHEMBL18313670

CC(C)(C)[C@H](NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 8/20 0.33
PDE4A P27815 5/20 0.33
KCNH2 Q12809 4/20 0.33
TDO2 P48775 1/20 0.33
SLC22A2 O15244 2/20 0.31
ELANE P08246 1/20 0.31
KMT2A Q03164 1/20 0.30
IMPDH2 P12268 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21440678 1.00 CMA1 (0.33) CMA1PDE4AKCNH2TDO2SLC22A2
SCHEMBL20531660 1.00 CMA1 (0.33) CMA1PDE4AKCNH2TDO2SLC22A2
SCHEMBL20531976 0.95 TDO2 (0.34) CMA1PDE4AKCNH2TDO2SLC22A2
SCHEMBL18313364 0.90 GSK3B (0.35) CMA1PDE4AKCNH2TDO2SLC22A2
SCHEMBL20531778 0.90 NTRK1 (0.37) PDE4AKCNH2ELANE
SCHEMBL18313644 0.90 NTRK1 (0.37) PDE4AKCNH2ELANE
SCHEMBL19784089 0.89 TDO2 (0.34) PDE4AKCNH2TDO2SLC22A2KMT2A
SCHEMBL21220090 0.89 TDO2 (0.34) PDE4AKCNH2TDO2SLC22A2KMT2A
SCHEMBL18313523 0.89 CMA1 (0.34) CMA1PDE4AKCNH2TDO2ELANE
SCHEMBL20531772 0.89 CMA1 (0.34) CMA1PDE4AKCNH2TDO2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107949562-B Positive allosteric modulators of muscarinic M2 receptors 拜耳制药股份公司 2021-07-23 CN disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
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
WO-2016198342-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO 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 CMA1 2721/4885PDE4A 246/4885KCNH2 588/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 CMA1 2721/4885PDE4A 246/4885KCNH2 588/4885

“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.