SCHEMBL2160854

SCHEMBL2160854

CC(=O)N1CCC(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)C(c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.60
EPHX2 P34913 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL18628365 1.00 SMO (0.60) SMOEPHX2HRH3EPHX1
SCHEMBL18628357 1.00 SMO (0.60) SMOEPHX2HRH3EPHX1
SCHEMBL18628423 0.93 SMO (0.59) SMOEPHX2HRH3EPHX1
SCHEMBL18628424 0.93 SMO (0.59) SMOEPHX2HRH3EPHX1
SCHEMBL18628426 0.93 SMO (0.59) SMOEPHX2HRH3EPHX1
SCHEMBL18628440 0.93 SMO (0.59) SMOEPHX2HRH3EPHX1
SCHEMBL18628442 0.93 SMO (0.59) SMOEPHX2HRH3EPHX1
SCHEMBL2160456 0.93 SMO (0.62) SMOEPHX2HRH3
SCHEMBL18628369 0.89 SMO (0.62) SMOEPHX2
SCHEMBL18628474 0.87 SMO (0.64) SMOEPHX2HRH3

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
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 SMO 1/4885EPHX2 1569/4885HRH3 740/4885

“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.