SCHEMBL5632034

SCHEMBL5632034

CC(C)(C)[CH]Cn1cnc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR8 Q9NR97 1/20 0.37
KDM2B Q8NHM5 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6404109 0.86 RAB9A (0.38) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL14405161 0.82 CYP2E1 (0.50) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL5632035 0.79 NPC1 (0.43) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL14384104 0.77 LMNA (0.41) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL5631188 0.76 CTSS (0.43) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL5755514 0.73 NPC1 (0.60) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL5630369 0.73 ALDH1A1 (0.39) ALDH1A1LMNAHTTNPSR1TLR8
SCHEMBL5758470 0.72 NPC1 (0.53) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL27776224 0.72 DGAT1 (0.43) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL5629903 0.70 KCNH2 (0.54) ALDH1A1LMNAKDRTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US claimed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS NPC1 1140/4885RAB9A 3787/4885ALDH1A1 2825/4885

“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.