SCHEMBL624296

SCHEMBL624296

CC(C)COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.50
MAP4K4 O95819 1/20 0.48
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
KIT P10721 2/20 0.43
RET P07949 2/20 0.42
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL624511 0.86 GPR119 (0.52) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL14973123 0.84 GPR119 (0.55) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL623305 0.84 GPR119 (0.50) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL624044 0.81 CKS1B (0.41) CKS1BSKP1SKP2HTTALDH1A1
Hydrochloric Acid SCHEMBL624304 0.81 LRRK2 (0.39) MAP4K4
SCHEMBL622223 0.80 HDAC1 (0.46) HTTALDH1A1LMNA
SCHEMBL26669649 0.79 GPR119 (0.57) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL15025402 0.79 CTSS (0.41) CKS1BSKP1SKP2KITRET
SCHEMBL15106419 0.79 GPR119 (0.54) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL623302 0.79 GPR119 (0.54) GPR119MAP4K4CKS1BSKP1SKP2

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-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 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 (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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G GPR119 2377/4885MAP4K4 3685/4885CKS1B 4211/4885

“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.