SCHEMBL6094891

SCHEMBL6094891

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.40
OPRD1 P41143 2/20 0.40
CNR1 P21554 1/20 0.39
KDM1A O60341 1/20 0.39
CCR5 P51681 2/20 0.39
DRD2 P14416 1/20 0.39
NR1D1 P20393 1/20 0.39
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8306369 1.00 OPRK1 (0.40) OPRK1OPRD1CNR1KDM1ACCR5
SCHEMBL6094894 1.00 OPRK1 (0.40) OPRK1OPRD1CNR1KDM1ACCR5
SCHEMBL6273386 0.85 CCR5 (0.40) OPRK1OPRD1CCR5
SCHEMBL8306441 0.85 CCR5 (0.40) OPRK1OPRD1CCR5
SCHEMBL6094255 0.85 CCR5 (0.40) OPRK1OPRD1CCR5
SCHEMBL6273383 0.85 CCR5 (0.40) OPRK1OPRD1CCR5
SCHEMBL6094257 0.85 CCR5 (0.40) OPRK1OPRD1CCR5
SCHEMBL14028092 0.80 OPRD1 (0.48) OPRK1OPRD1MEN1KMT2A
SCHEMBL6095239 0.78 KMT2A (0.47) KDM1ADRD2MEN1KMT2ANPSR1
SCHEMBL8305744 0.78 KMT2A (0.47) KDM1ADRD2MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 809/4885OPRD1 648/4885CNR1 181/4885
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 730/4885OPRD1 459/4885CNR1 911/4885

“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.