SCHEMBL6105877

SCHEMBL6105877

O=C(O)[C@H]1OCCN1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP2C19 P33261 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
HTR2C P28335 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46

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
SCHEMBL6358373 1.00 PREP (0.57) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL20654187 0.92 PREP (0.61) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL20653871 0.92 PREP (0.61) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL28026781 0.83 MEN1 (0.53) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL15817600 0.81 PREP (0.58) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL31158205 0.81 MEN1 (0.51) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30580148 0.81 MEN1 (0.51) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL23358427 0.81 PREP (0.50) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL12248054 0.80 PREP (0.52) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL31552122 0.80 MEN1 (0.50) PREPMEN1KMT2ANPSR1SMN1; SMN2

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-7034027-B2 Fused heterocyclic derivatives as phosphodiesterase inhibitors LILLY ICOS LLC (US) 2006-04-25 US disclosed
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors PFIZER INC 2005-10-20 US disclosed
US-20030207867-A1 Fused heterocyclic derivatives as phosphodiesterase inhibitors LILLY ICOS LLC, A DELAWARE CORPORATION 2003-11-06 US disclosed
EP-1305313-A1 FUSED HETEROCYCLIC DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Lilly Icos LLC (US) 2003-05-02 EP disclosed
WO-2002010166-A1 FUSED HETEROCYCLIC DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS LILLY ICOS LLC (US) 2002-02-07 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-20030207867-A1 Fused heterocyclic derivatives as phosphodiesterase inhibitors PDE3A, PDE3B, PDE2A PREP 205/4885MEN1 1628/4885KMT2A 4024/4885
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors ALPI, DPP4, SI PREP 62/4885MEN1 1706/4885KMT2A 2902/4885

“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.