SCHEMBL6841776

SCHEMBL6841776

O=CCCN1CC[C@@](OCc2ccccc2)(c2ccc(Cl)cc2)[C@@H](OCc2ccc(F)c(F)c2F)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.33
CCR3 P51677 2/20 0.33
DRD2 P14416 5/20 0.32
CCR1 P32246 1/20 0.32
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL6274732 0.92 CCR3 (0.34) BCHECCR3DRD2CCR1
SCHEMBL8306421 0.84 DRD4 (0.36) CCR3CCR1OPRM1OPRL1
SCHEMBL6098492 0.84 DRD4 (0.36) CCR3CCR1OPRM1OPRL1
SCHEMBL6098489 0.84 DRD4 (0.36) CCR3CCR1OPRM1OPRL1
SCHEMBL6095673 0.82 CCR1 (0.39) CCR1
SCHEMBL8312296 0.82 CYP2D6 (0.37) CCR1
SCHEMBL6095667 0.82 CCR1 (0.39) CCR1
SCHEMBL6272381 0.82 CCR3 (0.34) BCHECCR3DRD2CCR1DRD3
SCHEMBL6095898 0.81 CCR1 (0.38) CCR1OPRM1
SCHEMBL6095902 0.81 CCR1 (0.38) CCR1OPRM1

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-20040180929-A1 Nitrogen compounds such as 4-Benzyloxy-4-(4-chlorophenyl)-3-(3,4-difluorobenzyloxy)-piperidine, administered as oncoprotein or ubiquitin-conjugating enzyme antagonists for prophylaxis of cancer; anticarcinogenic agents KIM KYUNGJIN (US) 2004-09-16 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-20040180929-A1 Nitrogen compounds such as 4-Benzyloxy-4-(4-chlorophenyl)-3-(3,4-difluorobenzyloxy)-piperidine, administered as oncoprotein or ubiquitin-conjugating enzyme antagonists for prophylaxis of cancer; anticarcinogenic agents PSMB1, UBQLN1, UBE2N BCHE 1486/4885CCR3 3548/4885DRD2 3039/4885

“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.