SCHEMBL30096908

SCHEMBL30096908

CC1(C)CCC(C)(c2ccc(C(F)(F)F)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.44
OPRM1 P35372 2/20 0.44
SLC6A3 Q01959 5/20 0.41
SLC6A4 P31645 4/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
SLC6A2 P23975 1/20 0.41
DAO P14920 1/20 0.38
NPY5R Q15761 1/20 0.34
HSD11B1 P28845 1/20 0.33
PDE2A O00408 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
APP P05067 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
SCHEMBL30096842 0.82 CCR2 (0.35) SLC6A3SLC6A4SLC6A2
SCHEMBL30096893 0.80 SLC6A3 (0.40) OPRL1OPRM1SLC6A3SLC6A4MAOA
SCHEMBL30096889 0.80 KDM1A (0.46) OPRL1OPRM1SLC6A3SLC6A4KDM1A
SCHEMBL30096836 0.78 MGAT2 (0.36) SLC6A4LMNA
SCHEMBL30096902 0.76 SLC6A4 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL31504306 0.75 HTR2A (0.41) OPRL1OPRM1SLC6A3MAOAMAOB
SCHEMBL30850067 0.74 SLC6A4 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL19580567 0.74 SLC6A3 (0.43) OPRL1OPRM1SLC6A3SLC6A4MAOA
SCHEMBL13838853 0.72 OPRL1 (0.52) OPRL1OPRM1SLC6A3SLC6A4MAOA
Ammonia Solution, Strong SCHEMBL793057 0.71 OPRL1 (0.50) OPRL1OPRM1SLC6A3SLC6A4MAOA

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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-16 US disclosed
WO-2022196734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK株式会社 2022-09-22 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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 OPRL1 1134/4885OPRM1 429/4885SLC6A3 548/4885

“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.