SCHEMBL6019971

SCHEMBL6019971

CN(C[C@H]1CC[C@H](C#CCN2CCCCC2)CC1)C(=O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.41
HRH3 Q9Y5N1 1/20 0.38
CHRM2 P08172 4/20 0.36
CHRM4 P08173 4/20 0.36
CHRM5 P08912 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
KDM2B Q8NHM5 1/20 0.36
ADRB2 P07550 1/20 0.36
BCHE P06276 1/20 0.36
MAOB P27338 1/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL6019968 1.00 LSS (0.41) LSSHRH3CHRM2CHRM4CHRM5
SCHEMBL6018393 0.88 LSS (0.47) LSS
SCHEMBL4800889 0.88 LSS (0.49) LSSHRH3CHRM2CHRM4CHRM5
SCHEMBL6018388 0.88 LSS (0.47) LSS
SCHEMBL4800883 0.88 LSS (0.49) LSSHRH3CHRM2CHRM4CHRM5
SCHEMBL6018943 0.80 LSS (0.42) LSS
SCHEMBL6018938 0.80 LSS (0.42) LSS
SCHEMBL6019947 0.78 LSS (0.51) LSSCHRM2BCHE
SCHEMBL6019942 0.78 LSS (0.51) LSSCHRM2BCHE
SCHEMBL6018738 0.78 HTR2C (0.43) 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 1/4885HRH3 3277/4885CHRM2 212/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885HRH3 4086/4885CHRM2 579/4885

“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.