SCHEMBL2160428

SCHEMBL2160428

O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 1.00
P2RX7 Q99572 2/20 0.51

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
SCHEMBL2160431 1.00 SMO (1.00) SMOP2RX7
SCHEMBL18628418 1.00 SMO (1.00) SMOP2RX7
SCHEMBL18628522 1.00 SMO (1.00) SMOP2RX7
SCHEMBL2160302 1.00 SMO (1.00) SMOP2RX7
SCHEMBL18628398 1.00 SMO (1.00) SMOP2RX7
SCHEMBL18628395 0.91 SMO (0.84) SMOP2RX7
SCHEMBL18628396 0.91 SMO (0.84) SMOP2RX7
SCHEMBL18628410 0.90 SMO (0.83) SMOP2RX7
SCHEMBL18628409 0.90 SMO (0.83) SMOP2RX7
SCHEMBL18628429 0.88 SMO (0.79) SMOP2RX7

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 1/4885P2RX7 3997/4885

“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.