SCHEMBL3591187

SCHEMBL3591187

CC(C)(C)OC(=O)N1CCC(C#N)(c2cccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
NAMPT P43490 1/20 0.48
HSD11B1 P28845 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
GBA1 P04062 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
CYP11B2 P19099 1/20 0.42

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
SCHEMBL5874204 0.93 GPR119 (0.47) GPR119JAK2JAK1NAMPTHSD11B1
SCHEMBL3324696 0.86 JAK2 (0.48) GPR119JAK2JAK1NAMPTOPRD1
SCHEMBL2529921 0.86 CA12 (0.54) GPR119OPRD1OPRK1TSHRALOX15
SCHEMBL26633654 0.85 JAK2 (0.47) GPR119JAK2JAK1NAMPTOPRD1
SCHEMBL26633657 0.84 JAK2 (0.46) GPR119JAK2JAK1NAMPTOPRD1
SCHEMBL2629481 0.83 ALDH1A1 (0.60) GPR119NAMPTOPRD1OPRK1GBA1
SCHEMBL26633633 0.82 GPR119 (0.54) GPR119JAK2JAK1NAMPTOPRD1
SCHEMBL30017524 0.82 GPR119 (0.54) GPR119JAK2JAK1NAMPTOPRD1
SCHEMBL3598151 0.82 ALDH1A1 (0.51) HSD11B1OPRD1ALDH1A1MEN1KMT2A
SCHEMBL3591849 0.81 GPR119 (0.53) GPR119JAK2JAK1NAMPTOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724435-A1 BIFUNCTIONAL AZINES CONJOGATES AS SELECTIVE DEGRADERS OF SMARCA2 AND THERAPEUTIC USES THEREOF Nurix Therapeutics, Inc. (US) 2026-04-15 EP disclosed
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2026-03-03 US disclosed
US-20250051344-A1 BIFUNCTIONAL SELECTIVE DEGRADERS OF SMARCA2 AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. 2025-02-13 US disclosed
WO-2024254532-A1 BIFUNCTIONAL AZINES CONJOGATES AS SELECTIVE DEGRADERS OF SMARCA2 AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
US-20240383853-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES Zevra Denmark A/S (DK) 2024-11-21 US disclosed
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
EP-4408533-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES Zevra Denmark A/S (DK) 2024-08-07 EP disclosed
CN-118139842-A Oximes and their use in the treatment of GBA related diseases 泽拉丹麦有限公司 2024-06-04 CN disclosed
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-04-11 US disclosed
EP-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US 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 (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-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 GPR119 522/4885JAK2 59/4885JAK1 118/4885
US-20240383853-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES GBA1, GBA2, GBA3 GPR119 42/4885JAK2 3528/4885JAK1 4361/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 GPR119 298/4885JAK2 1619/4885JAK1 471/4885
US-20250051344-A1 BIFUNCTIONAL SELECTIVE DEGRADERS OF SMARCA2 AND THERAPEUTIC USES THEREOF SMARCA2, SMARCE1, SMARCB1 GPR119 3634/4885JAK2 3515/4885JAK1 4202/4885
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN6, PTPN2 GPR119 232/4885JAK2 75/4885JAK1 209/4885

“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.