SCHEMBL16187368

SCHEMBL16187368

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc3ccccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.50
▸ BTK Q06187 2/20 0.48
▸ ACHE P22303 1/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ PIM2 Q9P1W9 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ HCRTR2 O43614 1/20 0.43
▸ HPGDS O60760 1/20 0.43

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
SCHEMBL2418283 0.88 ACHE (0.52) USP30BTKACHE
SCHEMBL31227195 0.87 PIK3CD (0.48) USP30BTKPIM1PIM2PIK3CD
SCHEMBL31227119 0.87 ANO1 (0.51) USP30BTKPIM1PIM2PIK3CD
SCHEMBL31247168 0.87 PIK3CD (0.48) USP30BTKPIM1PIM2PIK3CD
SCHEMBL31227554 0.86 USP30 (0.48) USP30BTKPIM1PIM2PIK3CD
SCHEMBL31227846 0.86 PIK3CD (0.49) USP30BTKPIM1PIM2PIK3CD
SCHEMBL31227249 0.85 PIM1 (0.49) USP30BTKPIM1PIM2PARP1
SCHEMBL31227054 0.85 PIM1 (0.49) USP30BTKPIM1PIM2PARP1
SCHEMBL31227548 0.85 PIM1 (0.49) USP30BTKPIM1PIM2PARP1
SCHEMBL31227089 0.85 BTK (0.47) USP30BTKPIM1PIM2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER (US) 2016-03-03 — — US disclosed
US-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER (US) 2016-03-03 — — US disclosed
US-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER (US) 2016-03-03 — — US disclosed
US-9227956-B2 Substituted amide compounds PFIZER INC. (US) 2016-01-05 — — US disclosed
US-9227956-B2 Substituted amide compounds PFIZER INC. (US) 2016-01-05 — — US disclosed
WO-2014170786-A1 N-PIPERIDIN-3-YLBENZAMIDE DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES PFIZER INC. (US) 2014-10-23 — — WO disclosed
US-20140315928-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER INC. (US) 2014-10-23 — — US disclosed
US-20140315928-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER INC. (US) 2014-10-23 — — 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-20140315928-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT USP30 2477/4885BTK 871/4885ACHE 1814/4885
US-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT USP30 2477/4885BTK 871/4885ACHE 1814/4885

“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.

Send feedback