SCHEMBL16177328

SCHEMBL16177328

CC(C)(C)OC(=O)N1CCCC(Nc2ncccc2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ USP30 Q70CQ3 4/20 0.49
▸ TRPV1 Q8NER1 1/20 0.48
▸ JAK3 P52333 6/20 0.47
▸ JAK2 O60674 5/20 0.47
▸ BTK Q06187 1/20 0.47
▸ PIM1 P11309 2/20 0.46
▸ PIM2 Q9P1W9 2/20 0.46
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ PARP1 P09874 1/20 0.45

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
SCHEMBL21598927 1.00 POLB (0.50) POLBUSP30TRPV1JAK3JAK2
SCHEMBL16177330 1.00 POLB (0.50) POLBUSP30TRPV1JAK3JAK2
SCHEMBL24755093 0.94 USP30 (0.55) POLBUSP30JAK3JAK2BTK
SCHEMBL28499786 0.94 USP30 (0.55) POLBUSP30JAK3JAK2BTK
SCHEMBL27200991 0.94 USP30 (0.55) POLBUSP30JAK3JAK2BTK
SCHEMBL30923690 0.94 USP30 (0.55) POLBUSP30JAK3JAK2BTK
SCHEMBL16177033 0.88 USP30 (0.50) POLBUSP30TRPV1JAK3JAK2
SCHEMBL21598992 0.88 USP30 (0.50) POLBUSP30TRPV1JAK3JAK2
SCHEMBL16177034 0.88 USP30 (0.50) POLBUSP30TRPV1JAK3JAK2
SCHEMBL31227488 0.88 USP30 (0.50) POLBUSP30TRPV1JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387945-A Compound PTM-3, PTM-4, preparation method and application of preparing medicine 陈敏 2021-09-14 — — CN claimed
EP-4357345-A1 CLY SERIES COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF DRUGS Nanjing Wellbest Pharmaceutical Co., Ltd (CN) 2024-04-24 — — EP disclosed
CN-113248501-B CLY series compounds, preparation method thereof and application thereof in preparing medicines 南京韦尔优众医药有限公司 2021-10-08 — — CN disclosed
CN-113387945-A Compound PTM-3, PTM-4, preparation method and application of preparing medicine 陈敏 2021-09-14 — — CN disclosed
CN-113248501-A CLY series compounds, preparation method thereof and application thereof in preparing medicines 南京韦尔优众医药有限公司 2021-08-13 — — CN disclosed
WO-2016055901-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER INC. (US) 2016-04-14 — — WO disclosed
US-20160102074-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER INC. (US) 2016-04-14 — — 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-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 (3 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 POLB 3743/4885USP30 2477/4885TRPV1 3495/4885
US-20160102074-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT POLB 3743/4885USP30 2477/4885TRPV1 3495/4885
US-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT POLB 3743/4885USP30 2477/4885TRPV1 3495/4885

“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