SCHEMBL21594700

SCHEMBL21594700

CC(C)(C)CNCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
DPP7 Q9UHL4 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 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
SCHEMBL9285600 0.98 CARM1 (0.52) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL21667945 0.94 CARM1 (0.46) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL12251593 0.82 CARM1 (0.48) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL20328751 0.82 CARM1 (0.48) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL8073196 0.80 SMN1; SMN2 (0.45) CA12CA1CA2CA9MEN1
SCHEMBL4288469 0.79 CARM1 (0.59) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL31326654 0.79 CARM1 (0.59) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL20328749 0.79 CARM1 (0.50) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL21085992 0.78 CARM1 (0.41) CARM1PRMT6PRMT8DPP7SIGMAR1
SCHEMBL24927582 0.77 CARM1 (0.44) CARM1PRMT6PRMT8DPP7SIGMAR1

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-10512657-B2 Bile acid recycling inhibitors for treatment of pediatric cholestatic liver diseases LUMENA PHARMACEUTIALS LLC (US) 2019-12-24 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-10512657-B2 Bile acid recycling inhibitors for treatment of pediatric cholestatic liver diseases SLC10A1, SLC10A2, ABCB11 CARM1 3230/4885PRMT6 2605/4885PRMT8 2058/4885

“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.