SCHEMBL5113276

SCHEMBL5113276

CN1CCC(c2nc(-c3ccccc3C(=O)O)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
FAAH O00519 10/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL1475902 0.78 CTSL (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1FAAH
SCHEMBL4794507 0.78 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10253093 0.75 CASP8 (0.42) L3MBTL1CTSLCTSBCTSS
SCHEMBL3770630 0.74 NPC1 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1FAAH
SCHEMBL25168799 0.74 FAAH (0.49) FAAH
SCHEMBL30006556 0.72 RAB9A (0.66) NPC1RAB9ASMN1; SMN2
SCHEMBL19902999 0.72 RAB9A (0.66) NPC1RAB9ASMN1; SMN2
SCHEMBL18711879 0.72 FAAH (0.59) SMN1; SMN2L3MBTL1FAAH
SCHEMBL1480507 0.71 KDM4E (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1FAAH
SCHEMBL655588 0.71 PARP1 (0.66)

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-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK NPC1 482/4885RAB9A 1155/4885SMN1; SMN2 4373/4885

“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.