SCHEMBL19686364

SCHEMBL19686364

Cc1ccn(-c2cc(N3CCCCC3)nc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.47
TPH1 P17752 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
IDH2 P48735 3/20 0.39
CHRM3 P20309 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NUDT1 P36639 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19687340 0.92 IDH1 (0.45) IDH1TPH1HRH4IDH2
SCHEMBL31127134 0.92 IDH1 (0.45) IDH1TPH1HRH4IDH2
SCHEMBL19687334 0.91 IDH1 (0.44) IDH1TPH1HRH4IDH2HTT
SCHEMBL19686348 0.89 IDH1 (0.44) IDH1TPH1IDH2
SCHEMBL19686349 0.89 IDH1 (0.44) IDH1TPH1IDH2
SCHEMBL21143852 0.88 IDH1 (0.47) IDH1TPH1HRH4IDH2
SCHEMBL19686578 0.88 IDH1 (0.51) IDH1IDH2SMN1; SMN2
SCHEMBL19687344 0.86 IDH1 (0.41) IDH1TPH1HRH4IDH2CYP2D6
SCHEMBL19687326 0.85 IDH1 (0.43) IDH1TPH1IDH2
SCHEMBL19687341 0.85 IDH1 (0.43) IDH1TPH1IDH2

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 3017/4885TPH1 2221/4885HRH4 2164/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885TPH1 2221/4885HRH4 2164/4885

“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.