SCHEMBL4635533

SCHEMBL4635533

CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.47
JAK1 P23458 8/20 0.47
KDM1A O60341 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
RORC P51449 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL3352458 0.93 RORC (0.44) JAK2JAK1KDM1ACNR1CNR2
SCHEMBL22719225 0.89 KMT2A (0.49) JAK2JAK1KDM1AHDAC1GPR119
SCHEMBL22719383 0.89 GPR119 (0.44) JAK2JAK1HDAC1GPR119MEN1
SCHEMBL22719164 0.89 TACR1 (0.48) JAK2JAK1HDAC1GPR119RORC
SCHEMBL22719180 0.88 JAK2 (0.47) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL18321414 0.88 JAK2 (0.47) JAK2JAK1HDAC1GPR119RORC
SCHEMBL1002991 0.88 MEN1 (0.52) JAK2JAK1KDM1AHDAC1GPR119
SCHEMBL5811135 0.88 OPRD1 (0.49) JAK2JAK1HDAC1GPR119
SCHEMBL22719136 0.88 JAK2 (0.47) JAK2JAK1GPR119
SCHEMBL22719252 0.87 SMN1; SMN2 (0.51) JAK2JAK1KDM1AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 US disclosed
EP-3976186-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Sage Therapeutics, Inc. (US) 2022-04-06 EP disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (4 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 JAK2 664/4885JAK1 1481/4885KDM1A 1463/4885
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 JAK2 317/4885JAK1 915/4885KDM1A 3174/4885
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 JAK2 2813/4885JAK1 2221/4885KDM1A 1287/4885
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 JAK2 911/4885JAK1 2280/4885KDM1A 4173/4885

“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.