SCHEMBL13931073

SCHEMBL13931073

C[C@H](CC(c1cccc(F)c1)S(=O)(=O)CC1CCCCC1)N1CCC(CC(=O)Nc2ccc(F)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPY2R P49146 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ FUCA1 P04066 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CCR5 P51681 1/20 0.37

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
SCHEMBL13931070 0.85 CCR5 (0.36) LMNAALDH1A1SMN1; SMN2NPY2RKMT2A
SCHEMBL13930709 0.81 MAPT (0.42) LMNAALDH1A1GAASMN1; SMN2NPY2R
SCHEMBL13931006 0.80 RAB9A (0.46) ALDH1A1NPY2RRAB9AFUCA1CCR5
SCHEMBL13952282 0.78 RAB9A (0.45) ALDH1A1NPY2RRAB9AFUCA1CCR5
SCHEMBL4254638 0.76 RAB9A (0.47) SMN1; SMN2RAB9ATSHRTP53FUCA1
SCHEMBL4254635 0.76 RAB9A (0.47) SMN1; SMN2RAB9ATSHRTP53FUCA1
SCHEMBL13931035 0.74 CCR5 (0.40) LMNAALDH1A1GAASMN1; SMN2NPY2R
SCHEMBL13931036 0.74 CCR5 (0.40) LMNAALDH1A1GAASMN1; SMN2NPY2R
SCHEMBL13930701 0.72 CCR5 (0.55) CCR5
SCHEMBL13930705 0.72 CCR5 (0.55) CCR5

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 1 patent. 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

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 LMNA 3911/4885ALDH1A1 1/4885GAA 532/4885

“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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