SCHEMBL18685458

SCHEMBL18685458

C[C@@]1(c2ccc(F)cc2)C[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.48
PTGS2 P35354 1/20 0.47
HSD11B1 P28845 13/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL18685298 1.00 CCR2 (0.48) CCR2PTGS2HSD11B1MEN1KMT2A
SCHEMBL6130274 0.86 CCR2 (0.44) CCR2PTGS2HSD11B1MEN1KMT2A
SCHEMBL6130273 0.86 CCR2 (0.44) CCR2PTGS2HSD11B1MEN1KMT2A
SCHEMBL6130312 0.86 CCR2 (0.44) CCR2PTGS2HSD11B1MEN1KMT2A
SCHEMBL29221489 0.84 CCR2 (0.46) CCR2HSD11B1MEN1KMT2AMAOB
SCHEMBL23375795 0.83 LMNA (0.49) CCR2HSD11B1MEN1KMT2AMAOB
SCHEMBL23375794 0.83 LMNA (0.49) CCR2HSD11B1MEN1KMT2AMAOB
SCHEMBL21447252 0.83 LMNA (0.49) CCR2HSD11B1MEN1KMT2AMAOB
SCHEMBL23356985 0.83 LMNA (0.49) CCR2HSD11B1MEN1KMT2AMAOB
SCHEMBL21447253 0.83 LMNA (0.49) CCR2HSD11B1MEN1KMT2AMAOB

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-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 CCR2 708/4885PTGS2 2560/4885HSD11B1 4199/4885

“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.