SCHEMBL990078

SCHEMBL990078

CC(C)OC(=O)c1cccc(C(=O)N[C@H]2CCC[C@@](O)(C#Cc3cccc(Cl)c3)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GRM5 P41594 12/20 0.44
CNR2 P34972 3/20 0.42
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL990080 1.00 ALDH1A1 (0.45) ALDH1A1GRM5CNR2MAPTNPC1
SCHEMBL1906015 0.86 GRM5 (0.58) GRM5CNR2NPC1RAB9A
SCHEMBL990944 0.86 GRM5 (0.58) GRM5CNR2NPC1RAB9A
SCHEMBL992298 0.86 CNR2 (0.48) GRM5CNR2NPC1RAB9A
SCHEMBL990196 0.86 CNR2 (0.48) GRM5CNR2NPC1RAB9A
SCHEMBL992162 0.82 GRM5 (0.56) GRM5CNR2
SCHEMBL990845 0.82 GRM5 (0.56) GRM5CNR2
SCHEMBL990171 0.81 GRM5 (0.46) GRM5CNR2NPC1RAB9A
SCHEMBL990819 0.81 GRM5 (0.46) GRM5CNR2NPC1RAB9A
SCHEMBL990855 0.80 GRM5 (0.46) GRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100099682-A1 ACETYLENE DERIVATIVES NOVARTIS AG 2010-04-22 US disclosed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
WO-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 US disclosed
EP-1877365-A1 ACETYLENE DERIVATIVES Novartis AG (CH) 2008-01-16 EP disclosed
WO-2006114262-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 WO 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 (2 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-20100099682-A1 ACETYLENE DERIVATIVES NAT1, NAT10, F12 ALDH1A1 69/4885GRM5 3794/4885CNR2 285/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 ALDH1A1 69/4885GRM5 3794/4885CNR2 285/4885

“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.