SCHEMBL13618890

SCHEMBL13618890

Cc1cccc(C(=O)N[C@@H](c2ccc(CCC3CC3)cc2)C2C[C@@H]3CC[C@H]2C3)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.35
CXCR5 P32302 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34

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 0.85 NPC1 (0.61) NPC1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL13618895 0.85 NPC1 (0.51) NPC1LMNAUTS2RALDH1A1KMT2A
SCHEMBL13618880 0.82 HSD17B1 (0.43) NPC1TAS1R3TAS1R1TAS1R2UTS2R
SCHEMBL13618888 0.82 NPC1 (0.34) NPC1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL13618872 0.82 HSD17B1 (0.45) NPC1TAS1R3TAS1R1TAS1R2UTS2R
SCHEMBL13618891 0.77 NPC1 (0.35) NPC1LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL13618893 0.69 NPC1 (0.42) NPC1ALDH1A1KMT2AMEN1POLB
SCHEMBL13618896 0.69 NPC1 (0.49) NPC1ALDH1A1KMT2AMEN1POLB
SCHEMBL13618898 0.68 FFAR1 (0.35) NPC1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13618879 0.68 TAS1R3 (0.37) NPC1LMNATAS1R3TAS1R1TAS1R2

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 151/4885LMNA 3470/4885TAS1R3 1314/4885

“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.