SCHEMBL6095547

SCHEMBL6095547

Fc1cccc(F)c1CO[C@]1(c2ccc(Cl)cc2)CCNC[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.37
SLC6A4 P31645 7/20 0.37
SLC6A3 Q01959 7/20 0.37
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1A P08908 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
RORC P51449 1/20 0.34
REN P00797 1/20 0.33
KCNH2 Q12809 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL6109049 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL6095669 0.96 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL6095662 0.96 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL6291361 0.96 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL6096924 0.93 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL6095814 0.93 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL6093000 0.92 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6094320 0.92 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6094520 0.91 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL6096695 0.91 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2

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
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
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
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 SLC6A2 515/4885SLC6A4 425/4885SLC6A3 1729/4885
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 SLC6A2 3796/4885SLC6A4 4038/4885SLC6A3 4100/4885

“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.