SCHEMBL30096889

SCHEMBL30096889

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.46
CCR2 P41597 2/20 0.44
KCNN4 O15554 2/20 0.41
OPRL1 P41146 6/20 0.39
OPRM1 P35372 4/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 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
SCHEMBL30096842 0.83 CCR2 (0.35) SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL30096856 0.82 KDM1A (0.46) KDM1ASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL30096908 0.80 OPRL1 (0.44) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL10193786 0.76 KDM1A (0.54) KDM1ASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL30096845 0.76 GRIN1 (0.33) KDM1ASLC6A3SLC6A2OPRL1
SCHEMBL31504306 0.74 HTR2A (0.41) SLC6A3SLC6A2OPRL1OPRM1OPRK1
SCHEMBL5728531 0.73 TACR1 (0.49) KDM1ASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL5698913 0.70 KDM1A (0.51) KDM1ASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL5698966 0.70 KDM1A (0.51) KDM1ASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL28032116 0.70 SLC6A4 (0.54) KDM1ASLC6A4SLC6A3SLC6A2CCR2

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 KDM1A 3289/4885SLC6A4 1505/4885SLC6A3 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.