SCHEMBL21144232

SCHEMBL21144232

CC(C)(C)OC(=O)N1CCC(c2cc(NC3CCC(F)(F)CC3)nc(Cl)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.52
IDH2 P48735 1/20 0.52
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCNT1 O60563 1/20 0.45
SYK P43405 1/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
CNR1 P21554 3/20 0.42
GPR35 Q9HC97 2/20 0.42

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
SCHEMBL21143938 0.85 IDH1 (0.59) IDH1IDH2ALDH1A1MAPTMAPK1
SCHEMBL21143643 0.82 IDH1 (0.48) IDH1IDH2ALDH1A1MAPTMAPK1
SCHEMBL1748497 0.80 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL1748206 0.79 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL16220348 0.78 KDM4E (0.52) ALDH1A1MAPTMAPK1HTTKDM4E
SCHEMBL1748420 0.77 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL4012445 0.77 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL1748149 0.76 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL24851757 0.75 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL21143619 0.75 IDH1 (0.54) IDH1IDH2ALDH1A1MAPTMAPK1

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 4 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

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 3017/4885IDH2 2447/4885ALDH1A1 1320/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885ALDH1A1 1320/4885

“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.