SCHEMBL16811795

SCHEMBL16811795

Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2Cl)cn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.55
▸ PDCD1 Q15116 6/20 0.50
▸ CD274 Q9NZQ7 6/20 0.50
▸ DRD4 P21917 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ MCHR1 Q99705 3/20 0.43
▸ SLC6A12 P48065 1/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL18286512 0.94 SMO (0.53) SMOPDCD1CD274DRD4POLB
SCHEMBL16811838 0.92 SMO (0.59) SMOPDCD1CD274DRD4POLB
SCHEMBL16811836 0.92 SMO (0.56) SMOCD274DRD4POLBMCHR1
SCHEMBL16811789 0.91 SMO (0.67) SMOPDCD1CD274DRD4POLB
SCHEMBL16811846 0.91 SMO (0.57) SMOPDCD1CD274DRD4POLB
SCHEMBL16811784 0.91 SMO (0.55) SMODRD4POLBCCR3DRD3
SCHEMBL16811788 0.90 SMO (0.51) SMOPDCD1CD274DRD4POLB
SCHEMBL16812717 0.88 SMO (0.48) SMOPDCD1CD274DRD4MCHR1
SCHEMBL18286582 0.87 CHRM4 (0.50) SMOPDCD1CD274DRD4MCHR1
SCHEMBL16812009 0.87 SMO (0.77) SMOPDCD1CD274DRD4MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF UNIV DUKE (US) 2015-06-18 — — 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-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF SMO, SHH, GLI1 SMO 1/4885PDCD1 4160/4885CD274 4285/4885

“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.

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