SCHEMBL390041

SCHEMBL390041

Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)cs1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
MAP4K4 O95819 1/20 0.49
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GBA1 P04062 1/20 0.45
GPR119 Q8TDV5 10/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL20163062 0.84 CKS1B (0.52) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL389963 0.83 SMN1; SMN2 (0.43) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL31704489 0.82 CKS1B (0.47) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL17541646 0.78 HRH3 (0.55) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL2734028 0.78 ALDH1A1 (0.60) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL461584 0.77 CKS1B (0.62) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL21796663 0.76 GPR119 (0.56) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL23560770 0.76 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL22873660 0.76 GPR119 (0.58) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL4524210 0.76 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP 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 (1 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C CKS1B 2830/4885SKP1 2025/4885SKP2 3286/4885

“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.