SCHEMBL4289869

SCHEMBL4289869

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.44
SLC6A9 P48067 1/20 0.39
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
OGFRL1 Q5TC84 6/20 0.38
OPRK1 P41145 4/20 0.38
OPRM1 P35372 4/20 0.38
OPRL1 P41146 1/20 0.37
CNR1 P21554 3/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
USP19 O94966 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 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
SCHEMBL4285832 0.86 ALDH1A1 (0.45) SLC18A3OGFRL1OPRK1OPRM1HSD17B10
SCHEMBL4285101 0.85 OPRM1 (0.37) SLC18A3OGFRL1OPRK1OPRM1CNR1
SCHEMBL4288953 0.83 USP19 (0.33) SLC18A3OGFRL1OPRK1OPRM1CNR1
SCHEMBL4291466 0.82 USP19 (0.34) SLC18A3SLC6A9OGFRL1OPRK1OPRM1
SCHEMBL4287810 0.81 USP19 (0.34) OGFRL1OPRK1OPRM1CNR1GAA
SCHEMBL4291698 0.78 CA1 (0.38) SLC18A3
SCHEMBL4289691 0.78 CA1 (0.43) SLC18A3SLC6A9USP19
SCHEMBL8119640 0.78 CA1 (0.43) SLC18A3SLC6A9USP19
SCHEMBL13705484 0.78 CA1 (0.43) SLC18A3SLC6A9USP19
Hydrochloric Acid SCHEMBL4282788 0.77 CA1 (0.42) SLC18A3SLC6A9USP19

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 SLC18A3 2243/4885SLC6A9 357/4885JAK1 1708/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SLC18A3 2243/4885SLC6A9 357/4885JAK1 1708/4885

“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.