SCHEMBL3587092

SCHEMBL3587092

CN(C)C(c1cccc(F)c1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.49
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
KDR P35968 1/20 0.47
SLC6A3 Q01959 1/20 0.47
AOC3 Q16853 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27876854 0.86 OPRL1 (0.40) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL492779 0.85 AOC3 (0.43) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL1326919 0.85 SLC6A4 (0.45) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL492682 0.84 OPRL1 (0.41) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL494252 0.81 OPRL1 (0.40) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL493073 0.81 AOC3 (0.41) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL1328154 0.81 OPRL1 (0.42) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL493705 0.80 OPRL1 (0.41) OPRL1SLC6A4OPRM1KDRSLC6A3
SCHEMBL3590453 0.80 SLC6A4 (0.40) SLC6A4OPRM1KDRSLC6A3AOC3
SCHEMBL6258817 0.80 IDO1 (0.49) SLC6A4OPRM1KDRSLC6A3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 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 (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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 OPRL1 25/4885SLC6A4 274/4885OPRM1 12/4885

“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.