SCHEMBL10095072

SCHEMBL10095072

CC(C)(C)OC(=O)N1CCc2c(cnn2-c2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
MAPT P10636 2/20 0.53
GPR119 Q8TDV5 1/20 0.52
GRM5 P41594 2/20 0.51
GRM1 Q13255 1/20 0.51
SLC34A1 Q06495 1/20 0.49
PDK2 Q15119 2/20 0.48
MAPK1 P28482 1/20 0.47
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
OGA O60502 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
SCHEMBL20764967 0.92 GPR119 (0.52) HPGDSMAPTGPR119GRM5GRM1
SCHEMBL10095070 0.87 MAPT (0.62) HPGDSMAPTGPR119GRM5SLC34A1
SCHEMBL10095073 0.86 GPR119 (0.53) HPGDSMAPTGPR119GRM5GRM1
SCHEMBL1779430 0.84 PDK2 (0.66) HPGDSMAPTGRM5GRM1PDK2
SCHEMBL16836285 0.82 SLC34A1 (0.50) HPGDSMAPTGPR119SLC34A1PDK2
SCHEMBL1778530 0.81 MAPK14 (0.67) HPGDSMAPT
SCHEMBL1016798 0.80 HPGDS (0.51) HPGDSMAPTSLC34A1PDK2MAPK1
SCHEMBL10095079 0.80 P2RX7 (0.58) MAPTGPR119GRM5GRM1PDK2
SCHEMBL12541075 0.79 GRM5 (0.56) MAPTGPR119GRM5GRM1SLC34A1
SCHEMBL20792752 0.78 PDK2 (0.69) HPGDSMAPTGRM5GRM1SLC34A1

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 HPGDS 530/4885MAPT 1743/4885GPR119 1545/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK HPGDS 530/4885MAPT 1743/4885GPR119 1545/4885

“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.