SCHEMBL3884233

SCHEMBL3884233

CC(C)(C)OC(=O)NC1CCC(N2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
GPR119 Q8TDV5 1/20 0.54
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
ALDH1A1 P00352 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OGFRL1 Q5TC84 1/20 0.48

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
SCHEMBL649039 0.89 CKS1B (0.65) DRD2GPR119CKS1BSKP1SKP2
SCHEMBL3865823 0.83 KDM1A (0.52) DRD2GPR119CKS1BSKP1SKP2
SCHEMBL239933 0.83 GPR119 (0.63) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL18901560 0.82 GPR119 (0.54) DRD2GPR119CKS1BSKP1SKP2
SCHEMBL1401967 0.82 GPR119 (0.58) GPR119CKS1BSKP1SKP2
SCHEMBL1401964 0.82 GPR119 (0.58) GPR119CKS1BSKP1SKP2
SCHEMBL30599874 0.82 PDE10A (0.57) GPR119CKS1BSKP1SKP2
SCHEMBL21227871 0.82 PDE10A (0.57) GPR119CKS1BSKP1SKP2
SCHEMBL8172030 0.80 DRD2 (0.80) DRD2CKS1BSKP1SKP2ALDH1A1
SCHEMBL8172032 0.80 DRD2 (0.80) DRD2CKS1BSKP1SKP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482348-B2 Piperazinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BG) 2009-01-27 US disclosed
EP-1871373-A1 PIPERAZINYL SUBSTITUTED CYCLOHEXANE 1,4-DIAMINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-02 EP disclosed
US-20060223825-A1 Piperazinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 US disclosed
WO-2006104686-A1 PIPERAZINYL SUBSTITUTED CYCLOHEXANE 1,4-DIAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 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-20060223825-A1 Piperazinyl substituted cyclohexane-1,4-diamines ADRA1D, ADRA1A, ADRB1 DRD2 150/4885GPR119 451/4885CKS1B 1502/4885

“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.