SCHEMBL10095068

SCHEMBL10095068

CC(C)(C)OC(=O)N1CCc2c(c(-c3ccccc3)nn2-c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.49
PTGS1 P23219 5/20 0.49
CREBBP Q92793 1/20 0.47
MAP3K14 Q99558 1/20 0.46
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
GPR119 Q8TDV5 1/20 0.44
MAPK1 P28482 1/20 0.43
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
POLB P06746 1/20 0.43
C5AR1 P21730 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CTSS P25774 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
SCHEMBL2073807 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL12386797 0.84 MAP3K14 (0.46) MAP3K14GPR119MAPK1GRM5GRM1
SCHEMBL17868246 0.84 PTGS2 (0.58) PTGS2PTGS1CREBBP
SCHEMBL12602495 0.81 ALDH1A1 (0.47) MAP3K14GPR119POLB
SCHEMBL2075001 0.80 C5AR1 (0.60) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL19110575 0.80 GPR119 (0.46) MAP3K14GPR119MAPK1GRM5GRM1
SCHEMBL17377132 0.80 TMEM97 (0.46) CREBBPCKS1BSKP1SKP2HDAC1
SCHEMBL24417770 0.79 P2RX7 (0.52) CREBBPCKS1BSKP1SKP2GPR119
SCHEMBL20547247 0.79 CKS1B (0.51) CREBBPCKS1BSKP1SKP2GPR119
SCHEMBL19358343 0.78 CKS1B (0.50) CREBBPCKS1BSKP1SKP2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS2 1497/4885PTGS1 2261/4885CREBBP 2869/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK PTGS2 1497/4885PTGS1 2261/4885CREBBP 2869/4885

“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.