SCHEMBL4416033

SCHEMBL4416033

Cc1ccc(-c2noc(C3CCNCC3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
NR1H4 Q96RI1 1/20 0.65
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
PLAT P00750 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
Hydrochloric Acid SCHEMBL7551864 0.99 NPC1 (0.72) NPC1RAB9ANR1H4LMNAHTT
SCHEMBL22280323 0.92 NPC1 (0.66) NPC1RAB9ANR1H4LMNAHTT
SCHEMBL22280324 0.92 NPC1 (0.66) NPC1RAB9ANR1H4LMNAHTT
SCHEMBL12188551 0.89 NPC1 (0.85) NPC1RAB9ANR1H4LMNAHTT
SCHEMBL20844841 0.86 RAB9A (0.91) NPC1RAB9ALMNAHTTMAOA
SCHEMBL4419275 0.85 NPC1 (0.74) NPC1RAB9ANR1H4LMNAHTT
SCHEMBL4414482 0.85 NR1H4 (0.65) NPC1RAB9ANR1H4LMNAHTT
SCHEMBL4419637 0.85 NR1H4 (0.65) NPC1RAB9ANR1H4LMNAHTT
SCHEMBL13135844 0.85 NR1H4 (0.73) NPC1RAB9ANR1H4LMNAMAOA
SCHEMBL4422352 0.85 NR1H4 (0.65) NPC1RAB9ANR1H4LMNAHTT

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-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US claimed

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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 NPC1 620/4885RAB9A 675/4885NR1H4 90/4885

“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.