SCHEMBL30096845

SCHEMBL30096845

CC1(C)CCC(C)(c2cccc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
TACR1 P25103 1/20 0.33
OPRL1 P41146 1/20 0.32
KDM1A O60341 1/20 0.32
ICMT O60725 1/20 0.32
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
HDAC3 O15379 1/20 0.31

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
SCHEMBL30096902 0.83 SLC6A4 (0.36) SLC6A2SLC6A3
SCHEMBL30096889 0.76 KDM1A (0.46) OPRL1KDM1ASLC6A2SLC6A3
SCHEMBL27219495 0.71 GRIN1 (0.34) GRIN1GRIN2AGRIN2BOPRL1KDM1A
SCHEMBL30096934 0.70 GRIN1 (0.36) GRIN1GRIN2AGRIN2BOPRL1KDM1A
SCHEMBL31504306 0.69 HTR2A (0.41) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL30850071 0.68 SLC6A4 (0.36) KDM1ASLC6A2SLC6A3
SCHEMBL30096908 0.65 OPRL1 (0.44) OPRL1KDM1ASLC6A2SLC6A3
SCHEMBL30096842 0.65 CCR2 (0.35) TACR1SLC6A2SLC6A3HDAC3HDAC1
SCHEMBL30096836 0.65 MGAT2 (0.36) GRIN1GRIN2AGRIN2BHDAC6
SCHEMBL30850067 0.65 SLC6A4 (0.31) SLC6A2SLC6A3

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 GRIN1 987/4885GRIN2A 2733/4885GRIN2B 1596/4885

“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.