SCHEMBL4784040

SCHEMBL4784040

O=C(CCC1CN(C(=O)O)CCC1=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4739542 0.86 PARP1 (0.45) NOTUMSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL21405164 0.85 TMEM97 (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1CYP2C19
SCHEMBL21405534 0.83 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1CYP2C19
SCHEMBL9051840 0.81 NPC1 (0.41) SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL16372322 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1CYP2C19
SCHEMBL9052963 0.78 TACR3 (0.43) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15352654 0.78 TACR3 (0.43) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21828679 0.76 ALDH1A1 (0.46) NOTUMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL21193740 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1CYP2C19
SCHEMBL2704313 0.75 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1

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-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 NOTUM 4541/4885SMN1; SMN2 3504/4885NPC1 3398/4885

“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.