SCHEMBL6094537

SCHEMBL6094537

Clc1ccc([C@@]2(OCc3cccc(Cl)c3)CCNC[C@@H]2OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR6 P50406 1/20 0.37

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
SCHEMBL6094541 1.00 HTR2C (0.39) HTR2CHTR2BSLC6A4HTR6
SCHEMBL6095503 1.00 HTR2C (0.39) HTR2CHTR2BSLC6A4HTR6
SCHEMBL8305632 0.93 SLC6A2 (0.40) SLC6A4
SCHEMBL6096075 0.93 SLC6A2 (0.40) SLC6A4
SCHEMBL6094493 0.93 SLC6A2 (0.40) SLC6A4
SCHEMBL6094486 0.93 SLC6A2 (0.40) SLC6A4
Hydrochloric Acid SCHEMBL6095493 0.92 SLC6A2 (0.39) SLC6A4
Hydrochloric Acid SCHEMBL6095499 0.92 SLC6A2 (0.39) SLC6A4
SCHEMBL6098121 0.92 SLC6A4 (0.37) HTR2CHTR2BSLC6A4
SCHEMBL6274831 0.92 SLC6A4 (0.35) SLC6A4

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 HTR2C 533/4885HTR2B 603/4885SLC6A4 425/4885
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 HTR2C 4239/4885HTR2B 4412/4885SLC6A4 4038/4885

“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.