SCHEMBL6094878

SCHEMBL6094878

CCC(=O)N1CC[C@@](OCc2ccccc2)(c2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.39
CCR1 P32246 1/20 0.39
OPRD1 P41143 1/20 0.37
TACR3 P29371 1/20 0.37
TACR1 P25103 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 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
SCHEMBL6094873 1.00 OPRK1 (0.39) OPRK1CCR1OPRD1TACR3TACR1
SCHEMBL6096715 0.91 CCR1 (0.40) CCR1TACR3TACR1GRM2GRM3
SCHEMBL6094587 0.91 CCR1 (0.40) CCR1TACR3TACR1GRM2GRM3
SCHEMBL8305799 0.88 CCR1 (0.41) OPRK1CCR1OPRD1TACR3TACR1
SCHEMBL6273383 0.88 CCR5 (0.40) OPRK1CCR1OPRD1TACR1
SCHEMBL8306441 0.88 CCR5 (0.40) OPRK1CCR1OPRD1TACR1
SCHEMBL6094255 0.88 CCR5 (0.40) OPRK1CCR1OPRD1TACR1
SCHEMBL6094257 0.88 CCR5 (0.40) OPRK1CCR1OPRD1TACR1
SCHEMBL6273386 0.88 CCR5 (0.40) OPRK1CCR1OPRD1TACR1
SCHEMBL6094896 0.85 DRD4 (0.41) TACR3

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 OPRK1 809/4885CCR1 348/4885OPRD1 648/4885
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 OPRK1 730/4885CCR1 2098/4885OPRD1 459/4885

“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.