SCHEMBL19686407

SCHEMBL19686407

COCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.38
PDE2A O00408 1/20 0.35
CNR1 P21554 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNT1 O60563 1/20 0.31
MAPK8 P45983 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL19687434 0.92 IDH1 (0.35) IDH1PDE2ACNR1SMN1; SMN2NPC1
SCHEMBL21144169 0.89 IDH1 (0.40) IDH1PDE2ASMN1; SMN2NPC1MAPT
SCHEMBL19687351 0.89 IDH1 (0.40) IDH1PDE2ASMN1; SMN2NPC1MAPT
SCHEMBL31127144 0.89 IDH1 (0.40) IDH1PDE2ASMN1; SMN2NPC1MAPT
SCHEMBL19687079 0.88 IDH1 (0.39) IDH1PDE2ASMN1; SMN2NPC1MAPT
SCHEMBL19686405 0.88 IDH1 (0.39) IDH1PDE2ASMN1; SMN2NPC1MAPT
SCHEMBL31127120 0.88 IDH1 (0.39) IDH1PDE2ASMN1; SMN2NPC1MAPT
SCHEMBL31127359 0.87 IDH1 (0.35) IDH1CNR1
SCHEMBL19687101 0.87 IDH1 (0.35) IDH1CNR1
SCHEMBL19687063 0.87 CCNT1 (0.35) IDH1CCNT1

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 IDH1 3017/4885PDE2A 758/4885CNR1 770/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PDE2A 758/4885CNR1 770/4885

“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.