Sugi Predict

Sugi Predict / Compounds / SCHEMBL6096896

SCHEMBL6096896

SCHEMBL6096896

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34

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
SCHEMBL6095480 1.00 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6274831 1.00 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6096900 1.00 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6098052 0.92 MDM2 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL6094537 0.92 HTR2C (0.39) SLC6A4
SCHEMBL6096697 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL6096043 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL6097113 0.92 MDM2 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL6271985 0.92 MDM2 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL6094541 0.92 HTR2C (0.39) 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 6 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
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 SLC6A4 425/4885SLC6A2 515/4885SLC6A3 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 SLC6A4 4038/4885SLC6A2 3796/4885SLC6A3 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.