SCHEMBL2160858

SCHEMBL2160858

CC(=O)N1CCC(NC(=O)[C@@H]2CNC[C@H]3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)N23)C(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.41
SSTR4 P31391 1/20 0.37
TACR1 P25103 2/20 0.35
BACE1 P56817 1/20 0.35
SPTLC2 O15270 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 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
SCHEMBL2160461 0.92 SMO (0.41) SMOSSTR4TLR2TLR1
SCHEMBL2160343 0.83 SMO (0.38) SMOSSTR4TLR2TLR1
SCHEMBL2160491 0.81 HPGD (0.46) SMOSSTR4
SCHEMBL18628365 0.78 SMO (0.60) SMO
SCHEMBL18628357 0.78 SMO (0.60) SMO
SCHEMBL2160854 0.78 SMO (0.60) SMO
SCHEMBL2160701 0.76 SMO (0.41) SMOBACE1
SCHEMBL2161561 0.76 SMO (0.41) SMOBACE1
SCHEMBL2160633 0.74 SMO (0.57) SMO
SCHEMBL2160747 0.74 SMO (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885SSTR4 480/4885TACR1 425/4885

“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.