SCHEMBL3838293

SCHEMBL3838293

O=C(N[C@H]1CC[C@@](O)(C#Cc2cccc(Cl)c2)CC1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.59
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL3838292 1.00 GRM5 (0.59) GRM5L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL3838280 0.89 GRM5 (0.55) GRM5L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL3838277 0.89 GRM5 (0.55) GRM5L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL990840 0.89 GRM5 (0.60) GRM5L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL990817 0.89 GRM5 (0.60) GRM5L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL3433270 0.83 GRM5 (0.55) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL5115972 0.78 PKM (0.64) GRM5L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3836422 0.78 GRM5 (0.58) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3836423 0.78 GRM5 (0.58) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3837282 0.78 GRM5 (0.58) GRM5L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877367-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2009-10-14 EP claimed
EP-1877367-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20080194551-A1 Acetylene Derivatives NOVARTIS PHARMA GMBH (AT) 2008-08-14 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-20080194551-A1 Acetylene Derivatives NAT1, B3GNT2, NAT10 GRM5 3731/4885L3MBTL1 4529/4885ALDH1A1 55/4885

“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.