SCHEMBL4286036

SCHEMBL4286036

O=C(O)c1ncn([C@H]2CCCC[C@H]2F)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
PTGS2 P35354 2/20 0.36
GAA P10253 4/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
OPRK1 P41145 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRL1 P41146 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
SCHEMBL4281165 0.86 HCAR1 (0.43) CNR1TSHRALDH1A1SMN1; SMN2
SCHEMBL4788333 0.85 HCAR1 (0.44) CNR1PTGS2GAAHSD17B10TSHR
SCHEMBL4788338 0.85 HCAR1 (0.44) CNR1PTGS2GAAHSD17B10TSHR
SCHEMBL4788332 0.85 HCAR1 (0.44) CNR1PTGS2GAAHSD17B10TSHR
SCHEMBL4281594 0.83 CYP19A1 (0.45) GAAHSD17B10TSHRALDH1A1MEN1
SCHEMBL8118443 0.81 PTGS2 (0.36) CNR1PTGS2GAAHSD17B10PKM
SCHEMBL4290038 0.79 ALDH1A1 (0.37) CNR1GAAKDM4ETSHRALDH1A1
SCHEMBL13705072 0.79 CNR1 (0.33) CNR1PTGS2GAAHSD17B10OPRK1
SCHEMBL4284218 0.78 MCOLN2 (0.37) CNR1GAATSHRALDH1A1
SCHEMBL4286316 0.78 MERTK (0.41)

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 5 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

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 CNR1 3488/4885PTGS2 158/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CNR1 3488/4885PTGS2 158/4885GAA 1381/4885

“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.