SCHEMBL160677

SCHEMBL160677

CC(C)(C)OC(=O)[C@H]1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.55
SLC6A11 P48066 1/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLC6A13 Q9NSD5 1/20 0.55
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
CYP2D6 P10635 1/20 0.53
NOS2 P35228 1/20 0.44
HRH3 Q9Y5N1 1/20 0.39
BTK Q06187 1/20 0.38
HPGD P15428 1/20 0.35
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
ALOX15 P16050 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL25700006 1.00 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL160676 1.00 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL21612901 0.98 SLC6A1 (0.53) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL28674662 0.95 SLC6A1 (0.48) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL951872 0.89 HRH3 (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1415306 0.89 HRH3 (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1034237 0.89 HRH3 (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL5746780 0.89 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL12964597 0.87 SLC6A1 (0.44) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL15904240 0.87 HRH3 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108225-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVE AS PARG INHIBITOR 上海复星医药(集团)股份有限公司 2025-05-30 WO disclosed
US-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2024-11-07 US disclosed
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 WO disclosed
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed
CN-108373476-A A kind of kinase inhibitor and its preparation and application 成都地奥制药集团有限公司 2018-08-07 CN disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
CN-102686571-A Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO 2012-09-19 CN disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed
WO-2010109468-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN MAPI PHARMA HK LIMITED (CN) 2010-09-30 WO 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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 SLC6A1 3606/4885SLC6A11 3864/4885TSHR 1556/4885
US-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 SLC6A1 4649/4885SLC6A11 3867/4885TSHR 4045/4885

“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.