SCHEMBL5499012

SCHEMBL5499012

CC1=CC(C)(C)N(C)c2ccc(-c3cccc(C#N)c3)c(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.41
▸ AR P10275 1/20 0.41
▸ BRD4 O60885 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ BACE1 P56817 4/20 0.34
▸ CTSD P07339 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ ENPP1 P22413 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL5506294 0.76 PGR (0.65) PGRAR
SCHEMBL5509127 0.75 PGR (0.37) PGRARBRD4PDK2BACE1
SCHEMBL5112133 0.72 PGR (0.42) PGRBRD4BACE1CTSDCHEK1
SCHEMBL5503883 0.71 PGR (0.56) PGRARLMNAMAPT
SCHEMBL10094705 0.63 ADRA2C (0.48) PGRARBRD4ENPP1ADRA2C
SCHEMBL5112199 0.63 PGR (0.65) PGRARCHEK1
SCHEMBL25871799 0.63 CLK4 (0.47) PGRARBRD4CNR1CNR2
SCHEMBL16574038 0.62 PTGDR2 (0.53) PGRARBRD4HSD17B3ENPP1
SCHEMBL14850862 0.62 CLK4 (0.46) PGRARBRD4CNR1CNR2
SCHEMBL996127 0.61 ADRA2C (0.64) PDK2CHEK1ADRA2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US claimed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN claimed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP claimed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — WO claimed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 PGR 953/4885AR 486/4885BRD4 933/4885

“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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