SCHEMBL16811784

SCHEMBL16811784

Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2F)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.55
▸ CCR3 P51677 5/20 0.46
▸ DRD3 P35462 1/20 0.44
▸ DRD4 P21917 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ PRKAA2 P54646 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ RET P07949 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ SSTR5 P35346 1/20 0.41

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
SCHEMBL18286472 0.94 SMO (0.53) SMOCCR3DRD3DRD4POLB
SCHEMBL16811841 0.92 SMO (0.59) SMOCCR3DRD4POLBPRKAA2
SCHEMBL16811836 0.92 SMO (0.56) SMOCCR3DRD3DRD4POLB
SCHEMBL16811828 0.91 SMO (0.67) SMOCCR3DRD3DRD4POLB
SCHEMBL16811806 0.91 SMO (0.57) SMOCCR3DRD3DRD4POLB
SCHEMBL16811795 0.91 SMO (0.55) SMOCCR3DRD3DRD4POLB
SCHEMBL16811798 0.90 SMO (0.51) SMOCCR3DRD3DRD4POLB
SCHEMBL16812721 0.89 SMO (0.48) SMOCCR3DRD3DRD4USP30
SCHEMBL18286584 0.88 CHRM4 (0.49) SMOCCR3DRD3DRD4PRKAA2
SCHEMBL16812012 0.87 SMO (0.77) SMOCCR3DRD4RETSSTR5

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 1/4885CCR3 4622/4885DRD3 4864/4885

“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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