SCHEMBL3356494

SCHEMBL3356494

CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.46
JAK1 P23458 8/20 0.46
S1PR2 O95136 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC1 Q13547 1/20 0.44
RORC P51449 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL5671917 0.83 HDAC2 (0.49) JAK2JAK1S1PR2MEN1KMT2A
SCHEMBL229653 0.83 KMT2A (0.47) JAK2JAK1S1PR2MEN1KMT2A
SCHEMBL3353694 0.81 GPR183 (0.39)
SCHEMBL3925930 0.81 RORC (0.48) JAK2JAK1MEN1KMT2AHDAC2
SCHEMBL4635533 0.80 JAK2 (0.47) JAK2JAK1MEN1KMT2AHDAC2
SCHEMBL13308359 0.80 MEN1 (0.45) JAK2JAK1S1PR2MEN1KMT2A
SCHEMBL14636175 0.79 JAK2 (0.46) JAK2JAK1S1PR2MEN1KMT2A
SCHEMBL5940363 0.78 RORC (0.48) JAK2JAK1S1PR2MEN1KMT2A
SCHEMBL3355538 0.78 RORC (0.48) JAK2JAK1MEN1KMT2AHDAC2
SCHEMBL9362775 0.77 CES2 (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 JAK2 664/4885JAK1 1481/4885S1PR2 231/4885
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 JAK2 317/4885JAK1 915/4885S1PR2 171/4885

“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.