SCHEMBL16811805

SCHEMBL16811805

Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6ccccc6)CC5)nc4)CC3)c2C)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.61
▸ POLB P06746 1/20 0.48
▸ MCHR1 Q99705 2/20 0.47
▸ CD274 Q9NZQ7 1/20 0.46
▸ CCR3 P51677 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ CKS1B P61024 1/20 0.45
▸ SKP1 P63208 1/20 0.45
▸ SKP2 Q13309 1/20 0.45
▸ RET P07949 2/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL18286502 0.94 SMO (0.59) SMOPOLBMCHR1CD274CCR3
SCHEMBL16811838 0.92 SMO (0.59) SMOPOLBMCHR1CD274DRD4
SCHEMBL16811841 0.92 SMO (0.59) SMOPOLBMCHR1CCR3DRD4
SCHEMBL16811801 0.92 SMO (0.73) SMOPOLBMCHR1CD274CCR3
SCHEMBL16811836 0.92 SMO (0.56) SMOPOLBMCHR1CD274CCR3
SCHEMBL16811843 0.91 SMO (0.62) SMOPOLBMCHR1CD274CCR3
SCHEMBL16812013 0.90 SMO (0.79) SMOCD274CCR3DRD4RET
SCHEMBL16812735 0.89 SMO (0.52) SMOPOLBMCHR1CD274CCR3
SCHEMBL16811829 0.89 SMO (0.59) SMOPOLBMCHR1CCR3DRD4
SCHEMBL18286601 0.88 SMO (0.53) SMOCCR3DRD4PRKAB2PRKAG1

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 1/4885POLB 2358/4885MCHR1 3063/4885

“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.

Send feedback