SCHEMBL16433338

SCHEMBL16433338

COC(=O)C1(OCCN(Cc2ccccc2)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
STS P08842 1/20 0.43
ACHE P22303 1/20 0.43
ATM Q13315 1/20 0.42
AKT1 P31749 1/20 0.42
TACR1 P25103 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
YAP1 P46937 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL17714547 0.96 OPRD1 (0.43) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL4299022 0.86 YAP1 (0.48) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL16432794 0.84 OPRD1 (0.49) OPRD1OPRK1
SCHEMBL19398297 0.81 PRCP (0.43) TSHRACHEKDM4E
SCHEMBL16827186 0.77 TACR1 (0.48) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL16101520 0.77 OPRD1 (0.48) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL4302097 0.76 USP2 (0.42) GPR119NAMPTKDM4EPKM
SCHEMBL31377097 0.76 STS (0.47) OPRD1OPRK1JAK2JAK1STS
SCHEMBL1002715 0.76 PKM (0.55) OPRD1OPRK1TSHRALOX15STS
SCHEMBL1446888 0.76 TACR1 (0.51) OPRD1OPRK1JAK2JAK1TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204507-A1 NITROGEN-CONTAINING SPIRO DERIVATIVE AS RET INHIBITOR GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2022-06-30 US disclosed
WO-2020200314-A1 NITROGEN-CONTAINING SPIRO DERIVATIVE AS RET INHIBITOR 南京明德新药研发有限公司 2020-10-08 WO disclosed
EP-3250204-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-3212618-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
EP-3027625-B1 SPIRO-FUSED DERIVATIVES OF PIPERIDINE USEFUL FOR THE TREATMENT OF INTER ALIA HYPERTENSION AND ACUTE OR CHRONIC HEART FAILURE MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
US-20180009807-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-11 US disclosed
US-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-09-28 US disclosed
EP-3212616-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-09-06 EP disclosed
US-9751881-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-05 US disclosed
US-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
EP-3027625-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-06-08 EP disclosed
WO-2016065582-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016069430-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016065602-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016065602-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016069426-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2015017305-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP (US) 2015-02-05 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 (5 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-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 OPRD1 1039/4885OPRK1 209/4885JAK2 1099/4885
US-20180009807-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 OPRD1 1108/4885OPRK1 238/4885JAK2 1199/4885
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 OPRD1 1039/4885OPRK1 209/4885JAK2 1099/4885
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 OPRD1 1039/4885OPRK1 209/4885JAK2 1099/4885
US-20220204507-A1 NITROGEN-CONTAINING SPIRO DERIVATIVE AS RET INHIBITOR RET, NPR1, NEK2 OPRD1 2759/4885OPRK1 2079/4885JAK2 115/4885

“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.