SCHEMBL3324696

SCHEMBL3324696

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
GPR119 Q8TDV5 9/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
NAMPT P43490 5/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 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
SCHEMBL26633654 0.99 JAK2 (0.47) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL26633657 0.98 JAK2 (0.46) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL5874322 0.93 JAK2 (0.44) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL2529921 0.87 CA12 (0.54) GPR119OPRD1OPRK1
SCHEMBL22509312 0.86 OPRM1 (0.55) JAK2JAK1GPR119
SCHEMBL3591187 0.86 GPR119 (0.51) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL3160806 0.85 OPRM1 (0.56) GPR119
SCHEMBL1938611 0.85 RORC (0.48) JAK2JAK1GPR119
SCHEMBL3925930 0.85 RORC (0.48) JAK2JAK1
SCHEMBL651457 0.85 OPRM1 (0.56) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867720-B Heteroaryl derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-10-22 CN disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
EP-4092019-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-114867720-A Heteroaryl derivative and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-05 CN disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 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-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC JAK2 23/4885JAK1 4/4885GPR119 808/4885
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof PTPN11, PTPN1, PTPN7 JAK2 12/4885JAK1 27/4885GPR119 616/4885

“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.