SCHEMBL8560546

SCHEMBL8560546

CC(C)(C)OC(=O)N1CCN(c2nccc3ccoc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
GBA1 P04062 2/20 0.48
ACHE P22303 2/20 0.47
KIT P10721 2/20 0.47
GRIA1 P42261 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
MAP4K4 O95819 1/20 0.45
PDE10A Q9Y233 1/20 0.45
POLB P06746 1/20 0.45
FAAH O00519 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL8043687 0.81 CKS1B (0.49) CKS1BSKP1SKP2
SCHEMBL15971512 0.81 HTR2C (0.52) GBA1ACHEKITGRIA1
SCHEMBL1255986 0.80 ACHE (0.59) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL1698342 0.78 DRD2 (0.52) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL5762899 0.78 ACHE (0.47) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL3689672 0.77 GRIA1 (0.53) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL1059051 0.76 SMARCA2 (0.49) CKS1BSKP1SKP2ACHEKIT
SCHEMBL28501446 0.76 SMN1; SMN2 (0.59) CKS1BSKP1SKP2KITGPR119
SCHEMBL17861324 0.76 GRIA1 (0.55) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL17844999 0.76 KIT (0.49) CKS1BSKP1SKP2GBA1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
EP-0783498-A4 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO INC (US) 1998-04-15 EP disclosed
EP-0783498-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996010568-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1996-04-11 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-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT CKS1B 2210/4885SKP1 1243/4885SKP2 550/4885

“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.