SCHEMBL21599060

SCHEMBL21599060

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc3c2COC3)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.46
▸ USP30 Q70CQ3 6/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PIM1 P11309 2/20 0.43
▸ PIM2 Q9P1W9 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ ANO1 Q5XXA6 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ GABRA5 P31644 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.41

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
SCHEMBL25237746 0.80 PIM1 (0.49) BTKUSP30HDAC4HDAC6PIM1
SCHEMBL21599048 0.80 ANO1 (0.47) BTKUSP30HDAC4HDAC6PIM1
SCHEMBL16177033 0.80 USP30 (0.50) BTKUSP30PIM1PIM2TRPV1
SCHEMBL16177034 0.80 USP30 (0.50) BTKUSP30PIM1PIM2TRPV1
SCHEMBL31227488 0.80 USP30 (0.50) BTKUSP30PIM1PIM2TRPV1
SCHEMBL21598992 0.80 USP30 (0.50) BTKUSP30HDAC4HDAC6PIM1
SCHEMBL16187368 0.79 USP30 (0.50) BTKUSP30HDAC4HDAC6PIM1
SCHEMBL21598927 0.79 POLB (0.50) BTKUSP30PIM1PIM2TRPV1
SCHEMBL31227317 0.79 JAK3 (0.49) BTKUSP30PIM1PIM2TRPV1
SCHEMBL16177330 0.79 POLB (0.50) BTKUSP30PIM1PIM2TRPV1

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-10513514-B2 Piperidine compounds as PCSK9 inhibitors SHENZHEN SALUBRIS PHARM CO LTD. (CN) 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-10513514-B2 Piperidine compounds as PCSK9 inhibitors PCSK9, TGFB1, PCSK7 BTK 1010/4885USP30 2221/4885HDAC4 187/4885

“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.

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