SCHEMBL2160676

SCHEMBL2160676

O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CNC[C@H]2C(=O)N(C3CC3c3ccc(Cl)cc3)C(=O)N12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.51
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ROCK2 O75116 2/20 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
SCHEMBL2160633 0.94 SMO (0.57) SMOALDH1A1CHRM3
SCHEMBL2160747 0.94 SMO (0.57) SMOALDH1A1CHRM3
SCHEMBL2160303 0.83 SMO (0.59) SMOALDH1A1ROCK2
SCHEMBL2160434 0.83 SMO (0.59) SMOALDH1A1ROCK2
SCHEMBL2160411 0.81 SMO (0.64) SMOROCK2
SCHEMBL2161682 0.80 SMO (0.44) SMOROCK2
SCHEMBL2160672 0.75 SMO (0.88) SMO
SCHEMBL2160674 0.75 SMO (0.88) SMO
SCHEMBL2161561 0.75 SMO (0.41) SMO
SCHEMBL2160701 0.75 SMO (0.41) SMO

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 1/4885ALDH1A1 1864/4885CHRM2 1807/4885

“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.