SCHEMBL6095898

SCHEMBL6095898

CCC(=O)N1CCC(OCc2ccccc2)(c2ccc(Cl)cc2)C(OCc2ccc(F)c(F)c2F)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
OPRM1 P35372 2/20 0.37
MC4R P32245 1/20 0.35
GRM5 P41594 3/20 0.34
OPRD1 P41143 2/20 0.34
APP P05067 1/20 0.33
LMNA P02545 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.32
OPRK1 P41145 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL6095902 1.00 CCR1 (0.38) CCR1OPRM1MC4RGRM5OPRD1
SCHEMBL6095673 0.92 CCR1 (0.39) CCR1MC4RGRM5ALDH1A1SMN1; SMN2
SCHEMBL6095667 0.92 CCR1 (0.39) CCR1MC4RGRM5ALDH1A1SMN1; SMN2
SCHEMBL6094878 0.83 OPRK1 (0.39) CCR1OPRD1OPRK1
SCHEMBL6094873 0.83 OPRK1 (0.39) CCR1OPRD1OPRK1
SCHEMBL8312296 0.83 CYP2D6 (0.37) CCR1OPRD1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL6097733 0.83 CCR1 (0.38) CCR1MC4RGRM5ALDH1A1SMN1; SMN2
SCHEMBL6095008 0.83 CCR1 (0.38) CCR1MC4RGRM5ALDH1A1SMN1; SMN2
SCHEMBL6274732 0.82 CCR3 (0.34) CCR1ALDH1A1
SCHEMBL6093982 0.82 MEN1 (0.39) CCR1MC4RGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916833-B2 Substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2005-07-12 US claimed
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 claimed
US-7060713-B2 Substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US disclosed
EP-1605941-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
US-20050171157-A1 3-alkyl- or alkenyloxy-4-phenyl-4-phenylalkoxypiperidines that may be N-substituted, e.g., cis-[rac]-4-Benzyloxy-4-(4-fluoro-phenyl)-3-butyloxy-piperidine; treating breast or colon cancer KIM KYUNGJIN (US) 2005-08-04 US disclosed
US-6916833-B2 Substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2005-07-12 US disclosed
WO-2004080460-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed
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 (2 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-20050171157-A1 3-alkyl- or alkenyloxy-4-phenyl-4-phenylalkoxypiperidines that may be N-substituted, e.g., cis-[rac]-4-Benzyloxy-4-(4-fluoro-phenyl)-3-butyloxy-piperidine; treating breast or colon cancer KRAS, TMEM205, ABCB11 CCR1 348/4885OPRM1 1014/4885MC4R 763/4885
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 CCR1 2098/4885OPRM1 1135/4885MC4R 4639/4885

“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.