SCHEMBL4284004

SCHEMBL4284004

O=C(N[C@H]1CCCC[C@@H]1n1cnc(C(=O)O)c1-c1ccccc1)OC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.34
CHRM3 P20309 3/20 0.34
CHRNA7 P36544 1/20 0.34
TSHR P16473 1/20 0.33
CNR1 P21554 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCOLN2 Q8IZK6 1/20 0.32
MCOLN1 Q9GZU1 1/20 0.32
LHCGR P22888 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32

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
SCHEMBL4290038 0.89 ALDH1A1 (0.37) FAAHALDH1A1CHRNA7TSHRCNR1
SCHEMBL4285804 0.88 MEN1 (0.38) FAAHMGLLALDH1A1LMNARAB9A
SCHEMBL4293883 0.84 CNR1 (0.36) ALDH1A1LMNACHRNA7TSHRCNR1
SCHEMBL4292738 0.84 ALDH1A1 (0.40) FAAHMGLLALDH1A1LMNAEPHX1
SCHEMBL4285705 0.84 ALDH1A1 (0.40) FAAHMGLLALDH1A1LMNAEPHX1
SCHEMBL4291109 0.82 EPHX1 (0.35) ALDH1A1EPHX1CHRM3TSHRCNR1
SCHEMBL4750098 0.79 CA1 (0.40)
SCHEMBL4286036 0.78 CNR1 (0.37) ALDH1A1TSHRCNR1SMN1; SMN2
SCHEMBL4283612 0.78 CYP19A1 (0.41) FAAHMGLLALDH1A1TSHRSMN1; SMN2
SCHEMBL4296461 0.78 CYP19A1 (0.41) FAAHMGLLALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT FAAH 2632/4885MGLL 2197/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT FAAH 2632/4885MGLL 2197/4885ALDH1A1 388/4885

“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.