SCHEMBL13930754

SCHEMBL13930754

C[C@H](CN(c1ccccc1)S(=O)(=O)CC1CCC(F)(F)CC1)N1C2CCC1CC(CC(=O)Nc1ccc(F)cc1F)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ RORC P51449 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC10A2 Q12908 1/20 0.34
▸ FUCA1 P04066 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
SCHEMBL13931013 0.89 RAB9A (0.41) THRBMAPTRORCTP53RAB9A
SCHEMBL13930752 0.89 RAB9A (0.41) THRBMAPTRORCTP53RAB9A
SCHEMBL13930735 0.77 OPRM1 (0.47) THRBMAPTTP53RAB9APOLB
SCHEMBL13930847 0.77 OPRM1 (0.47) THRBMAPTTP53RAB9APOLB
SCHEMBL13931017 0.76 FUCA1 (0.45) TP53RAB9APOLBALDH1A1CHRM2
SCHEMBL13952151 0.76 FUCA1 (0.45) TP53RAB9APOLBALDH1A1CHRM2
SCHEMBL13930709 0.76 MAPT (0.42) MAPTRORCTP53RAB9ASMN1; SMN2
SCHEMBL13930683 0.72 KCNJ6 (0.41) MAPTSMN1; SMN2TSHR
SCHEMBL13930731 0.71 EPHX2 (0.44) MAPTRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL13930679 0.71 OPRM1 (0.37) —

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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 THRB 3487/4885MAPT 2479/4885RORC 876/4885

“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.

Send feedback