SCHEMBL4109151

SCHEMBL4109151

CCc1cnc(-c2cnc(N3CCCCC3C(=O)OC)c([N+](=O)[O-])c2)o1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.40
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.34
RAB9A P51151 3/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
S1PR1 P21453 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
ULK1 O75385 1/20 0.33
GPR174 Q9BXC1 1/20 0.33

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
SCHEMBL4099757 0.84 MAPT (0.46) OPRK1TP53LMNAALDH1A1MAPT
SCHEMBL708078 0.77 OPRK1 (0.64) OPRK1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL708077 0.77 OPRK1 (0.64) OPRK1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL4103444 0.77 RHOA (0.41) OPRK1POLBALDH1A1MAPTMAPK1
SCHEMBL5316300 0.77 RHOA (0.41) OPRK1POLBALDH1A1MAPTMAPK1
SCHEMBL10281620 0.74 OPRK1 (0.62) OPRK1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL708572 0.74 OPRK1 (0.52) OPRK1SMN1; SMN2ALDH1A1MAPTULK1
SCHEMBL708573 0.74 OPRK1 (0.52) OPRK1SMN1; SMN2ALDH1A1MAPTULK1
SCHEMBL6125265 0.74 OPRK1 (0.62) OPRK1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL1288565 0.72 SMN1; SMN2 (0.42) OPRK1SMN1; SMN2MAPTPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 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-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 OPRK1 1185/4885TP53 4775/4885SMN1; SMN2 4121/4885

“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.