SCHEMBL16811973

SCHEMBL16811973

Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CC(C)OC(C)C5)nc4)CC3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.52
▸ PGR P06401 1/20 0.52
▸ GPR183 P32249 1/20 0.52
▸ DRD4 P21917 4/20 0.49
▸ CD274 Q9NZQ7 2/20 0.44
▸ CCR3 P51677 4/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MCHR1 Q99705 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ PDCD1 Q15116 1/20 0.41
▸ SSTR5 P35346 1/20 0.40

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
SCHEMBL16811972 0.93 DRD4 (0.49) SMOPGRGPR183DRD4CCR3
SCHEMBL15615151 0.91 SMO (0.60) SMOPGRGPR183DRD4CD274
SCHEMBL16811975 0.91 DRD4 (0.49) SMOPGRGPR183DRD4CD274
SCHEMBL16812559 0.90 SMO (0.68) SMOPGRGPR183DRD4CD274
SCHEMBL18286468 0.90 SMO (0.54) SMODRD4CD274CCR3MEN1
SCHEMBL16811967 0.89 SMO (0.51) SMODRD4CD274CCR3MEN1
SCHEMBL16811954 0.89 SMO (0.53) SMODRD4CD274CCR3MEN1
SCHEMBL16811955 0.88 SMO (0.52) SMODRD4CD274CCR3MEN1
SCHEMBL16811964 0.87 SMO (0.51) SMODRD4CD274CCR3MEN1
SCHEMBL18286502 0.87 SMO (0.59) SMODRD4CD274CCR3MEN1

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-9512106-B2 Smoothened modulators and methods of use thereof DUKE UNIVERSITY (US) 2016-12-06 — — US disclosed
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 1/4885PGR 3016/4885GPR183 1609/4885

“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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