SCHEMBL1913151

SCHEMBL1913151

Cc1ccc(-c2cn3c(C(=O)N4CCC(c5ncccn5)CC4)cnc3cc2CN)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.36
PIK3CA P42336 4/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TPSAB1 Q15661 2/20 0.34
TGFBR1 P36897 2/20 0.33
LMNA P02545 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
BCHE P06276 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL338615 0.87 SLC6A7 (0.43) LMNA
SCHEMBL1911459 0.86 CNR1 (0.36) PIK3CATGFBR1LMNATP53
SCHEMBL338589 0.85 PIK3CA (0.44) PIK3CADPP4
SCHEMBL338618 0.82 DPP4 (0.40) DPP4LMNAGAA
SCHEMBL340061 0.79 KDM4E (0.47) LMNA
SCHEMBL1911461 0.77 DPP4 (0.37) DPP4
SCHEMBL340180 0.76 DPP4 (0.46) PIK3CADPP4LMNATP53
SCHEMBL340132 0.75 P2RX7 (0.39) DPP4DPP7
SCHEMBL339697 0.74 DPP4 (0.48) DPP4LMNA
SCHEMBL340329 0.71 KDM4E (0.45) DPP4LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC CYP46A1 341/4885PIK3CA 1666/4885DPP4 120/4885

“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.