SCHEMBL16238698

SCHEMBL16238698

CCC(C)c1nnc(C(N)=O)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLS O94925 1/20 0.32
LMNA P02545 1/20 0.32
EEF2K O00418 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FBP1 P09467 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL3901356 0.86 ALDH1A1 (0.48) ALDH1A1MAPTTSHRGLSLMNA
SCHEMBL1743688 0.84 ALDH1A1 (0.43) ALDH1A1MAPTTSHRLMNASMN1; SMN2
SCHEMBL3901618 0.81 ALDH1A1 (0.30) ALDH1A1MAPTGLSSMN1; SMN2
SCHEMBL2773847 0.81 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL3905827 0.80
SCHEMBL3905814 0.79 NPC1 (0.30) ALDH1A1L3MBTL1SMN1; SMN2FBP1NPC1
Hydrochloric Acid SCHEMBL2968730 0.79 RAB9A (0.40) ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL3900149 0.78 ALDH1A1 (0.36) ALDH1A1MAPTTSHRGLSSMN1; SMN2
SCHEMBL3909193 0.76 KDM4E (0.50) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL3902138 0.74 NPC1 (0.30) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2533/4885MAPT 3944/4885TSHR 1261/4885

“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.