SCHEMBL6094591

SCHEMBL6094591

CC(=O)N1CC[C@@](OCc2ccccc2)(c2ccc(Cl)cc2)[C@@H](OCc2ccc(F)cc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRM5 P41594 1/20 0.39
CCR1 P32246 1/20 0.38
MC4R P32245 1/20 0.37
MGLL Q99685 3/20 0.37
ADAMTS7 Q9UKP4 2/20 0.37
ADAMTS5 Q9UNA0 2/20 0.37
P2RX7 Q99572 2/20 0.36
EPHX2 P34913 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL6094226 1.00 MEN1 (0.39) MEN1KMT2AGRM5CCR1MC4R
SCHEMBL6093984 0.94 MEN1 (0.39) MEN1KMT2AGRM5CCR1MC4R
SCHEMBL6093982 0.94 MEN1 (0.39) MEN1KMT2AGRM5CCR1MC4R
SCHEMBL6096012 0.91 CCR1 (0.41) CCR1
SCHEMBL6094818 0.91 CCR1 (0.41) CCR1
SCHEMBL6097711 0.90 CCR1 (0.39) MEN1KMT2ACCR1MC4R
SCHEMBL6094883 0.90 CCR1 (0.39) MEN1KMT2ACCR1MC4R
SCHEMBL6095673 0.89 CCR1 (0.39) MEN1KMT2AGRM5CCR1MC4R
SCHEMBL6095667 0.89 CCR1 (0.39) MEN1KMT2AGRM5CCR1MC4R
SCHEMBL6096725 0.89 CCR1 (0.40) MEN1KMT2ACCR1MC4RMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605941-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP claimed
US-6916833-B2 Substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2005-07-12 US claimed
WO-2004080460-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO 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 MEN1 4250/4885KMT2A 2880/4885GRM5 1632/4885
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 MEN1 3202/4885KMT2A 738/4885GRM5 4516/4885

“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.