SCHEMBL4762286

SCHEMBL4762286

O=C(O)N1CCC(n2c(=O)oc3cccnc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.40
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 2/20 0.40
HSD11B1 P28845 1/20 0.40
CALCRL Q16602 2/20 0.39
CBX7 O95931 3/20 0.38
CDYL2 Q8N8U2 3/20 0.38
CDYL Q9Y232 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CDY1; CDY1B Q9Y6F8 2/20 0.38
GPR55 Q9Y2T6 1/20 0.37
SCN1A P35498 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8256058 0.83 GPR119 (0.50) KDM4E
SCHEMBL16456347 0.79 KDM4E (0.44) TNKSKDM4EALDH1A1MEN1KMT2A
SCHEMBL16456021 0.79 KDM4E (0.44) TNKSKDM4EALDH1A1MEN1KMT2A
SCHEMBL4899696 0.79 TP53 (0.45) KDM4EALDH1A1MEN1KMT2A
SCHEMBL15205382 0.77 HTR3A (0.38) KDM4EALDH1A1PDE4BPDE4D
SCHEMBL15205381 0.77 HTR3A (0.38) KDM4EALDH1A1PDE4BPDE4D
SCHEMBL23236023 0.76 TNKS (0.58) TNKSPARP1PARP2HSD11B1CALCRL
SCHEMBL16455930 0.76 KDM4E (0.41) TNKSKDM4EALDH1A1
SCHEMBL15204431 0.75 KDM4E (0.42) TNKSHSD11B1KDM4EALDH1A1
SCHEMBL15204430 0.75 KDM4E (0.42) TNKSHSD11B1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TNKS 4551/4885PARP1 3651/4885PARP2 3734/4885

“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.