SCHEMBL19686785

SCHEMBL19686785

CC(=O)c1cc(N2CCOCC2)cc(NC2CCC(F)(F)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.39
MTOR P42345 2/20 0.39
AKT1 P31749 1/20 0.39
CCR2 P41597 1/20 0.38
CCNE1 P24864 5/20 0.38
CDK2 P24941 5/20 0.38
HRH4 Q9H3N8 1/20 0.38
PDPK1 O15530 1/20 0.37
PRKDC P78527 1/20 0.36
KCNH2 Q12809 1/20 0.36
CFTR P13569 1/20 0.36
IDH1 O75874 1/20 0.36
KDM1A O60341 1/20 0.36
PIK3R1 P27986 1/20 0.36
SYK P43405 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL31127115 1.00 PIK3CA (0.39) PIK3CAMTORAKT1CCR2CCNE1
SCHEMBL21144084 0.85 PTGS2 (0.42) PIK3CAMTORAKT1CCR2CCNE1
SCHEMBL31127297 0.82 KCNH2 (0.36) PIK3CAMTORAKT1HRH4KCNH2
SCHEMBL21143602 0.82 KCNH2 (0.36) PIK3CAMTORAKT1HRH4KCNH2
SCHEMBL21144012 0.81 LRRK2 (0.42) PIK3CAMTORAKT1HRH4IDH1
SCHEMBL31127374 0.81 LRRK2 (0.42) PIK3CAMTORAKT1HRH4IDH1
SCHEMBL21143962 0.78 SMN1; SMN2 (0.45) HRH4LRRK2
SCHEMBL31127337 0.78 SMN1; SMN2 (0.45) HRH4LRRK2
SCHEMBL19686482 0.77 KDM4E (0.43) PIK3CACCNE1CDK2IDH1PIK3R1
SCHEMBL21165869 0.76 OPRK1 (0.44)

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
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
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 PIK3CA 1182/4885MTOR 1488/4885AKT1 3340/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 PIK3CA 1182/4885MTOR 1488/4885AKT1 3340/4885

“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.