SCHEMBL6018941

SCHEMBL6018941

CN(C[C@H]1CC[C@H](C#CCCl)CC1)C(=O)Oc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.41
TAS2R14 Q9NYV8 1/20 0.36
ACHE P22303 5/20 0.33
HTR2A P28223 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
BCHE P06276 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGIR P43119 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
SCHEMBL6018937 1.00 LSS (0.41) LSSTAS2R14ACHEHTR2AMAOA
SCHEMBL6018610 0.89 LSS (0.39) LSSTAS2R14ACHEMAOAMAOB
SCHEMBL6018612 0.89 LSS (0.39) LSSTAS2R14ACHEMAOAMAOB
SCHEMBL6018443 0.84 LSS (0.48) LSSACHEMAOAMAOBBCHE
SCHEMBL6018446 0.84 LSS (0.48) LSSACHEMAOAMAOBBCHE
SCHEMBL6019052 0.82 LSS (0.51) LSSACHEMAOAMAOBBCHE
SCHEMBL6019057 0.82 LSS (0.51) LSSACHEMAOAMAOBBCHE
SCHEMBL6019239 0.76 LSS (0.46) LSSTAS2R14ACHETP53POLB
SCHEMBL6019234 0.76 LSS (0.46) LSSTAS2R14ACHETP53POLB
SCHEMBL6018388 0.75 LSS (0.47) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 US disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 LSS 1/4885TAS2R14 4209/4885ACHE 1484/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885TAS2R14 4172/4885ACHE 2571/4885

“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.