SCHEMBL2134675

SCHEMBL2134675

O=C(N1CC[CH]CC1)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.52
MGLL Q99685 4/20 0.52
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
TNFSF11 O14788 1/20 0.36
MAPT P10636 2/20 0.34
JAK1 P23458 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31

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
SCHEMBL30730242 0.85 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL12713291 0.85 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL5648212 0.83 FAAH (0.54) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL16207652 0.80 FAAH (0.51) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL427357 0.80 FAAH (0.51) FAAHMGLLALDH1A1LMNAMAPT
SCHEMBL1911804 0.80 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL1687216 0.80 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL5650379 0.79 FAAH (0.50) FAAHMGLLALDH1A1LMNAFNTA
Iodide SCHEMBL26614664 0.79 FAAH (0.50) FAAHMGLLALDH1A1LMNAMAPT
SCHEMBL5645313 0.77 FAAH (0.49) FAAHMGLLALDH1A1LMNAFNTA

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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 FAAH 3221/4885MGLL 2479/4885ALDH1A1 1208/4885

“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.