SCHEMBL16812722

SCHEMBL16812722

Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(C)CC4)nc3)CC2)cccc1-c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.48
▸ CD274 Q9NZQ7 2/20 0.46
▸ PGR P06401 1/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ CHRM4 P08173 4/20 0.43
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ SSTR5 P35346 2/20 0.41
▸ DRD4 P21917 3/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTR2A P28223 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
SCHEMBL16812735 0.93 SMO (0.52) SMOCD274PGRGPR183CHRM4
SCHEMBL16812721 0.93 SMO (0.48) SMOCD274CHRM4CHRM2CHRM1
SCHEMBL16812717 0.92 SMO (0.48) SMOCD274CHRM4CHRM2CHRM1
SCHEMBL18286586 0.92 SMO (0.55) SMOCD274PGRGPR183CHRM4
SCHEMBL16812725 0.92 SMO (0.46) SMOCD274PGRGPR183CHRM4
SCHEMBL16811836 0.89 SMO (0.56) SMOCD274CCR3DRD4DRD3
SCHEMBL16812576 0.88 SMO (0.69) SMOCD274PGRGPR183SSTR5
SCHEMBL18286468 0.87 SMO (0.54) SMOCD274CCR3SSTR5DRD4
SCHEMBL16812724 0.86 SMO (0.52) SMOCHRM4SSTR5DRD4HPGDS
SCHEMBL15615252 0.85 SMO (0.54) SMOCD274PGRGPR183CHRM4

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 1/4885CD274 4285/4885PGR 3016/4885

“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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