SCHEMBL391852

SCHEMBL391852

CC(C)(C)OC(=O)N1CCN(c2noc(-c3cccnc3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.57
KIT P10721 1/20 0.52
GPR119 Q8TDV5 11/20 0.50
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
ACHE P22303 1/20 0.46
S1PR1 P21453 1/20 0.44
PTPN11 Q06124 1/20 0.44
POLB P06746 1/20 0.43
PIK3CA P42336 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
SCHEMBL387529 0.88 CKS1B (0.56) GBA1KITGPR119CKS1BSKP1
SCHEMBL2893198 0.83 SMN1; SMN2 (0.50) S1PR1POLB
SCHEMBL1423622 0.82 GBA1 (0.57) GBA1KITGPR119CKS1BSKP1
SCHEMBL6786128 0.81 GPR119 (0.60) GBA1KITGPR119CKS1BSKP1
SCHEMBL20117170 0.80 ACHE (0.46) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL942427 0.78 GPR119 (0.64) GBA1KITGPR119CKS1BSKP1
SCHEMBL2246945 0.78 NPC1 (0.59) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL387967 0.78 S1PR1 (0.54) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL391468 0.77 ADORA2A (0.44) GPR119CKS1BSKP1SKP2ACHE
Hydrochloric Acid SCHEMBL6812121 0.77 GPR119 (0.63) GBA1KITGPR119CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 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
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 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 (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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C GBA1 893/4885KIT 3397/4885GPR119 137/4885
US-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B GBA1 485/4885KIT 3150/4885GPR119 139/4885

“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.