SCHEMBL13931013

SCHEMBL13931013

C[C@H](CN(c1ccccc1)S(=O)(=O)Cc1ccccc1)N1C2CC[C@H]1CC(CC(=O)Nc1ccc(F)cc1F)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RORC P51449 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL13930752 1.00 RAB9A (0.41) RAB9APOLBTHRBMAPTALDH1A1
SCHEMBL13930754 0.89 THRB (0.38) RAB9APOLBTHRBMAPTALDH1A1
SCHEMBL13930735 0.88 OPRM1 (0.47) RAB9APOLBTHRBMAPTTP53
SCHEMBL13930847 0.88 OPRM1 (0.47) RAB9APOLBTHRBMAPTTP53
SCHEMBL13952151 0.79 FUCA1 (0.45) RAB9APOLBALDH1A1TP53CHRM2
SCHEMBL13931017 0.79 FUCA1 (0.45) RAB9APOLBALDH1A1TP53CHRM2
SCHEMBL13931016 0.74 RAB9A (0.44) RAB9APOLBMAPTTP53
SCHEMBL13930709 0.72 MAPT (0.42) RAB9AMAPTALDH1A1RORCTP53
SCHEMBL13930728 0.72 MAPT (0.59) POLBMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL13929310 0.72 SIGMAR1 (0.58) RORCOPRM1TSHR

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 RAB9A 729/4885POLB 1789/4885THRB 3487/4885

“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.

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