SCHEMBL6095433

SCHEMBL6095433

Fc1cccc(COC2CNCCC2(OCc2ccccc2)c2ccc(Cl)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
REN P00797 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR1A P08908 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL6095799 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL6095793 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL6094067 0.93 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6095099 0.93 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6094072 0.93 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL8307328 0.93 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6094236 0.93 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4REN
SCHEMBL6094234 0.93 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4REN
SCHEMBL6097020 0.93 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4REN
SCHEMBL6271819 0.93 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4REN

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.