SCHEMBL19687004

SCHEMBL19687004

COC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(N3CCCC3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 3/20 0.39
EHMT2 Q96KQ7 4/20 0.35
EHMT1 Q9H9B1 2/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAP3K12 Q12852 1/20 0.33
NOS3 P29474 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
SCHEMBL19687001 0.83 IDH1 (0.39) PDE4DROCK2IDH1IDH2NOS3
SCHEMBL31127199 0.83 IDH1 (0.39) PDE4DROCK2IDH1IDH2NOS3
SCHEMBL19686287 0.83 IDH1 (0.39) PDE4DROCK2IDH1IDH2NOS3
SCHEMBL31127431 0.83 ADORA3 (0.34) PDE4DROCK2IDH1IDH2NOS3
SCHEMBL21144356 0.83 ADORA3 (0.34) PDE4DROCK2IDH1IDH2NOS3
SCHEMBL19687003 0.83 IDH1 (0.38) PDE4DROCK2IDH1IDH2NOS3
SCHEMBL19687005 0.83 IDH1 (0.38) PDE4DROCK2IDH1IDH2NOS1
SCHEMBL21144088 0.82 GPR119 (0.36) PDE4DSMN1; SMN2ROCK2IDH1IDH2
SCHEMBL31127073 0.82 GPR119 (0.36) PDE4DSMN1; SMN2ROCK2IDH1IDH2
SCHEMBL19687244 0.82 IDH1 (0.38) PDE4DROCK2IDH1IDH2NOS3

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 WHR1 4419/4885EHMT2 3277/4885EHMT1 2638/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 WHR1 4419/4885EHMT2 3277/4885EHMT1 2638/4885

“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.