SCHEMBL4095146

SCHEMBL4095146

CC(C)(C)CCNCCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 1/20 0.41
ADAM17 P78536 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BRD4 O60885 1/20 0.38
RIPK1 Q13546 1/20 0.38
LMNA P02545 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10484395 0.85 TAAR1 (0.58) TAAR1NPC1RAB9ASMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL10484340 0.83 TAAR1 (0.56) TAAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL418868 0.81 TAAR1 (0.54) TAAR1NPC1RAB9ASMN1; SMN2PTGS1
SCHEMBL6561248 0.80 TAAR1 (0.48) TAAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL820487 0.78 TAAR1 (0.55) TAAR1NPC1RAB9ASMN1; SMN2PTGS1
SCHEMBL13290402 0.78 TAAR1 (0.50) TAAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL20689749 0.78 MAOB (0.57) TAAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL5242878 0.77 SMN1; SMN2 (0.50) TAAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL10245372 0.77 TAAR1 (0.48) TAAR1NPC1RAB9ASMN1; SMN2ADAM17
SCHEMBL11892134 0.77 TAAR1 (0.53) TAAR1NPC1RAB9ASMN1; SMN2PTGS1

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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 TAAR1 856/4885NPC1 1106/4885RAB9A 2432/4885

“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.