SCHEMBL4635894

SCHEMBL4635894

CCC1(C(=O)c2ccc(F)cc2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.44
SLC6A2 P23975 13/20 0.43
SLC6A4 P31645 13/20 0.43
SLC6A3 Q01959 13/20 0.43
CYP2D6 P10635 12/20 0.43
HTR7 P34969 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 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
SCHEMBL3974848 0.86 SLC6A2 (0.40) OPRD1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL23467203 0.84 SLC6A2 (0.47) OPRD1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL414713 0.82 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL227735 0.79 CES2 (0.41) OPRD1HTR7CES2CES1
SCHEMBL25277087 0.78 ALDH1A1 (0.44)
Bromide SCHEMBL10966858 0.78 OPRD1 (0.40) OPRD1CES2CES1
SCHEMBL229151 0.77 CES2 (0.42) OPRD1CES2CES1
SCHEMBL230343 0.77 CES2 (0.42) OPRD1SLC6A3CES2CES1
SCHEMBL413666 0.75 SLC6A2 (0.54) OPRD1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL373783 0.74 HDAC1 (0.42) OPRD1CES2CES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO 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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 OPRD1 44/4885SLC6A2 4686/4885SLC6A4 4337/4885

“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.