SCHEMBL896528

SCHEMBL896528

O=C(Nc1ccc(N2CCOCC2)nc1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
CYP1A2 P05177 2/20 0.60
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
DGAT1 O75907 7/20 0.57
MAPT P10636 5/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
STAT3 P40763 1/20 0.55
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL29739339 1.00 RAB9A (0.60) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
SCHEMBL14659243 0.89 MAPT (0.53) RAB9ACYP1A2NPC1LMNADGAT1
SCHEMBL29739547 0.89 ALDH1A1 (0.53) RAB9ACYP1A2NPC1LMNADGAT1
SCHEMBL29739356 0.89 MAPT (0.53) RAB9ACYP1A2NPC1LMNADGAT1
SCHEMBL14658673 0.89 ALDH1A1 (0.53) RAB9ACYP1A2NPC1LMNADGAT1
SCHEMBL896355 0.88 GAA (0.52) RAB9ACYP1A2NPC1DGAT1MAPT
SCHEMBL29739388 0.88 GAA (0.52) RAB9ACYP1A2NPC1DGAT1MAPT
SCHEMBL29739477 0.86 GAA (0.68) RAB9ACYP1A2NPC1SMN1; SMN2DGAT1
SCHEMBL4964373 0.85 CYP1A2 (0.60) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4963724 0.84 CYP1A2 (0.59) RAB9ACYP1A2NPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH RAB9A 1530/4885CYP1A2 1649/4885NPC1 1281/4885

“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.