SCHEMBL16812730

SCHEMBL16812730

CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccc(OC(F)(F)F)nc5)c4F)CC3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.46
▸ AKT1 P31749 1/20 0.43
▸ RET P07949 2/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CHRM4 P08173 4/20 0.40
▸ CCR3 P51677 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL16812725 0.93 SMO (0.46) SMOAKT1RETCKS1BSKP1
SCHEMBL16812729 0.93 SMO (0.46) SMOAKT1RETCKS1BSKP1
SCHEMBL18286597 0.93 SMO (0.47) SMOAKT1RETCKS1BSKP1
SCHEMBL16812721 0.92 SMO (0.48) SMORETCHRM4CCR3DRD3
SCHEMBL16811798 0.91 SMO (0.51) SMOAKT1RETCKS1BSKP1
SCHEMBL16812733 0.90 SMO (0.53) SMORETCHRM4CCR3HTR1A
SCHEMBL18286514 0.90 SMO (0.49) SMOAKT1RETCKS1BSKP1
SCHEMBL16811842 0.88 SMO (0.52) SMOAKT1RETCKS1BSKP1
SCHEMBL16811837 0.88 SMO (0.61) SMOAKT1CKS1BSKP1SKP2
SCHEMBL16812723 0.86 SMO (0.49) SMORETCKS1BSKP1SKP2

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 1/4885AKT1 137/4885RET 439/4885

“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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