SCHEMBL3563555

SCHEMBL3563555

CC(C)(C)OC(=O)N1CCN(c2nnnn2-c2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.58
ALDH1A1 P00352 2/20 0.53
GRM5 P41594 1/20 0.49
GRM1 Q13255 1/20 0.49
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
ACHE P22303 2/20 0.47
POLB P06746 1/20 0.47
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL13119850 0.87 ALDH1A1 (0.50) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL3569090 0.84 ALDH1A1 (0.49) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL1459701 0.84 GPR119 (0.79) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL30516861 0.84 GPR119 (0.79) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL3563751 0.83 ALDH1A1 (0.48) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL3553875 0.83 ALDH1A1 (0.48) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL13117065 0.80 GPR119 (0.59) GPR119ALDH1A1GRM5GRM1CKS1B
SCHEMBL29461612 0.79 GPR119 (0.72) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL4823523 0.79 GPR119 (0.72) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL13117067 0.79 ALDH1A1 (0.46) GPR119ALDH1A1CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
CN-101432278-B Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO 2012-11-28 CN disclosed
WO-2011159794-A1 DEUTERATED HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
CN-101432278-A Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2009-05-13 CN disclosed
EP-2010525-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-07 EP disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US 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 (3 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-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS VCAM1, CD4, ICAM1 GPR119 2278/4885ALDH1A1 175/4885GRM5 1646/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS GPR119 2283/4885ALDH1A1 1424/4885GRM5 1248/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS GPR119 2283/4885ALDH1A1 1424/4885GRM5 1248/4885

“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.