SCHEMBL2728940

SCHEMBL2728940

CCN1CCN(c2ccc(C34CC3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
RORC P51449 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL2727269 0.84 GPR119 (0.55) GPR119MAPTLMNAALDH1A1NAMPT
SCHEMBL2728583 0.84 GPR119 (0.47) GPR119DDB1CRBNMAPTLMNA
SCHEMBL10132382 0.83 GPR119 (0.46) GPR119DDB1CRBNMAPTLMNA
SCHEMBL9951786 0.82 GPR119 (0.49) GPR119MAPTLMNAALDH1A1RORC
SCHEMBL2713151 0.82 GPR119 (0.49) GPR119MAPTLMNAALDH1A1RORC
SCHEMBL2712292 0.81 GPR119 (0.45) GPR119DDB1CRBNMAPTLMNA
SCHEMBL2727537 0.80 ALDH1A1 (0.41) MAPTALDH1A1RORCTSHRMGLL
SCHEMBL2727935 0.79 GPR119 (0.47) GPR119DDB1CRBNMAPTLMNA
SCHEMBL13201877 0.76 GPR119 (0.44) GPR119RORCMGLL
SCHEMBL8246876 0.76 GPR119 (0.44) GPR119RORCMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
EP-2445887-B1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
EP-2445887-A2 NOVEL AZABICYCLOHEXANES Panacea Biotec Limited (IN) 2012-05-02 EP disclosed
WO-2010150281-A2 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2010-12-29 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 (1 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 GPR119 1235/4885DDB1 1907/4885CRBN 4378/4885

“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.