SCHEMBL17526480

SCHEMBL17526480

CCCCCCCCCCCN(CC)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.43
DNM1 Q05193 3/20 0.42
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL17526592 1.00 KCNH2 (0.43) KCNH2DNM1PLA2G1BPLA2G2ATSHR
SCHEMBL13407598 1.00 KCNH2 (0.43) KCNH2DNM1PLA2G1BPLA2G2ATSHR
SCHEMBL13407592 1.00 KCNH2 (0.43) KCNH2DNM1PLA2G1BPLA2G2ATSHR
SCHEMBL12560583 0.98 KCNH2 (0.40) KCNH2DNM1PLA2G1BPLA2G2A
SCHEMBL9278295 0.91 CA12 (0.35) KCNH2PLA2G1BPLA2G2A
SCHEMBL14983628 0.88 DNM1 (0.42) KCNH2DNM1PLA2G1BPLA2G2ATSHR
SCHEMBL21015388 0.84 SIGMAR1 (0.37) KCNH2
SCHEMBL17523780 0.84 SIGMAR1 (0.37) KCNH2
SCHEMBL17523765 0.84 SIGMAR1 (0.37) KCNH2
SCHEMBL15383401 0.84 SIGMAR1 (0.37) KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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 (1 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 KCNH2 3628/4885DNM1 3016/4885PLA2G1B 4667/4885

“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.