SCHEMBL5198451

SCHEMBL5198451

O[C@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.57
ALDH1A1 P00352 1/20 0.56
FUCA1 P04066 2/20 0.54
SLC18A3 Q16572 5/20 0.53
SIGMAR1 Q99720 3/20 0.53
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL11558282 0.89 FUCA1 (0.60) CCR5ALDH1A1FUCA1SLC18A3SIGMAR1
SCHEMBL11558271 0.89 FUCA1 (0.60) CCR5ALDH1A1FUCA1SLC18A3SIGMAR1
SCHEMBL11558275 0.89 FUCA1 (0.60) CCR5ALDH1A1FUCA1SLC18A3SIGMAR1
SCHEMBL6624318 0.87 FUCA1 (0.71) CCR5ALDH1A1FUCA1SIGMAR1KDM1A
SCHEMBL5157969 0.83 FUCA1 (0.66) ALDH1A1FUCA1SLC18A3SIGMAR1ACHE
SCHEMBL5157349 0.83 FUCA1 (0.66) ALDH1A1FUCA1SLC18A3SIGMAR1ACHE
SCHEMBL3557156 0.81 CCR5 (0.57) CCR5ALDH1A1SIGMAR1ACHEBCHE
SCHEMBL3551204 0.81 CCR5 (0.57) CCR5ALDH1A1SIGMAR1ACHEBCHE
SCHEMBL3559501 0.81 CCR5 (0.57) CCR5ALDH1A1SIGMAR1ACHEBCHE
SCHEMBL3559498 0.81 CCR5 (0.57) CCR5ALDH1A1SIGMAR1ACHEBCHE

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
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 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-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT CCR5 1472/4885ALDH1A1 26/4885FUCA1 3646/4885

“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.