SCHEMBL10095073

SCHEMBL10095073

CC(C)(C)OC(=O)N1CCc2c(cnn2-c2cnccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.53
HPGDS O60760 2/20 0.50
MAPT P10636 2/20 0.48
SLC34A1 Q06495 2/20 0.47
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
PDK2 Q15119 3/20 0.42
P2RX7 Q99572 6/20 0.41
MAPK1 P28482 1/20 0.41
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39

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
SCHEMBL10095072 0.86 HPGDS (0.54) GPR119HPGDSMAPTSLC34A1ESR2
SCHEMBL10095070 0.83 MAPT (0.62) GPR119HPGDSMAPTSLC34A1ESR2
SCHEMBL20792775 0.81 HPGDS (0.57) HPGDSMAPTSLC34A1ESR2NR1H2
SCHEMBL10095071 0.79 HPGDS (0.53) GPR119HPGDSMAPTSLC34A1ESR2
SCHEMBL1016798 0.79 HPGDS (0.51) HPGDSMAPTSLC34A1ESR2NR1H2
SCHEMBL1779430 0.79 PDK2 (0.66) HPGDSMAPTESR2NR1H2PDK2
SCHEMBL16836285 0.79 SLC34A1 (0.50) GPR119HPGDSMAPTSLC34A1ESR2
SCHEMBL16217166 0.78 ESR2 (0.52) HPGDSMAPTSLC34A1ESR2NR1H2
SCHEMBL20764967 0.77 GPR119 (0.52) GPR119HPGDSMAPTSLC34A1ESR2
SCHEMBL20792752 0.77 PDK2 (0.69) HPGDSMAPTSLC34A1ESR2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 EP disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 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 (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-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK GPR119 1545/4885HPGDS 530/4885MAPT 1743/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK GPR119 1545/4885HPGDS 530/4885MAPT 1743/4885

“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.