SCHEMBL13618895

SCHEMBL13618895

Cc1ccc(C)c(C(=O)N[C@@H](c2ccc(CCC3CC3)cc2)C2C[C@@H]3CC[C@H]2C3)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
POLB P06746 2/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
UTS2R Q9UKP6 1/20 0.37
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
ADRB3 P13945 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
SCHEMBL13618897 0.93 NPC1 (0.61) NPC1POLBKMT2AMEN1UTS2R
SCHEMBL13618890 0.85 NPC1 (0.42) NPC1POLBKMT2AMEN1UTS2R
SCHEMBL13618885 0.82 HSD17B1 (0.48) POLBKMT2AMEN1UTS2RALDH1A1
SCHEMBL13618893 0.82 NPC1 (0.42) NPC1POLBKMT2AMEN1ALDH1A1
SCHEMBL13618876 0.82 HSD17B1 (0.49) POLBKMT2AMEN1UTS2RALDH1A1
SCHEMBL13618891 0.77 NPC1 (0.35) NPC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL13618896 0.77 NPC1 (0.49) NPC1POLBKMT2AMEN1ALDH1A1
SCHEMBL13618886 0.75 HSD17B1 (0.50) NPC1KMT2AMEN1UTS2RALDH1A1
SCHEMBL13618899 0.75 HSD17B1 (0.48) NPC1POLBKMT2AMEN1UTS2R
SCHEMBL13618878 0.74 HSD17B1 (0.52) NPC1KMT2AMEN1UTS2RALDH1A1

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-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 NPC1 151/4885POLB 4418/4885KMT2A 1209/4885

“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.