SCHEMBL21165882

SCHEMBL21165882

CCC(C)(C)n1nccc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL21165881 0.83 KDM4E (0.41) KDM4EHTTALDH1A1CYP2C19
SCHEMBL25231127 0.72 KDM4E (0.41) KDM4EHTTALDH1A1NPSR1MEN1
Hydrochloric Acid SCHEMBL16827936 0.71 MEN1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL33526601 0.69 KDM4E (0.36) KDM4EHTTALDH1A1
SCHEMBL12802841 0.69
SCHEMBL17001808 0.66 GAA (0.41) KDM4EHTTALDH1A1
SCHEMBL19724045 0.66 HCAR2 (0.43) KDM4EHTTALDH1A1CYP2C9
SCHEMBL19723948 0.66 PDE2A (0.37) KDM4EHTTALDH1A1NPSR1MEN1
SCHEMBL6467002 0.65 OXTR (0.40) KDM4EHTTALDH1A1KMT2ACYP2C19
SCHEMBL6370702 0.65 RAB9A (0.40) KDM4EHTTMEN1KMT2APOLB

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 2 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

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 KDM4E 1648/4885HTT 1384/4885ALDH1A1 1320/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KDM4E 1648/4885HTT 1384/4885ALDH1A1 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.