SCHEMBL991376

SCHEMBL991376

COc1ccccc1OCC(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
ALDH1A1 P00352 2/20 0.55
GRM5 P41594 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
LDHA P00338 1/20 0.44
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL4656000 1.00 HPGD (0.55) HPGDALDH1A1GRM5SMN1; SMN2NPC1
SCHEMBL990289 0.82 EPHX2 (0.53) HPGDALDH1A1GRM5SMN1; SMN2LMNA
SCHEMBL16390663 0.82 EPHX2 (0.53) HPGDALDH1A1GRM5SMN1; SMN2LMNA
SCHEMBL991625 0.81 GRM5 (0.49) ALDH1A1GRM5SMN1; SMN2NPC1RAB9A
SCHEMBL990909 0.81 GRM5 (0.45) HPGDGRM5L3MBTL1
SCHEMBL990109 0.80 GRM5 (0.42) GRM5GAACYP3A4CYP2C19L3MBTL1
SCHEMBL3694789 0.80 GRM5 (0.42) GRM5GAACYP3A4CYP2C19L3MBTL1
SCHEMBL991436 0.80 KDM4E (0.49) HPGDGRM5SMN1; SMN2RAB9AKMT2A
SCHEMBL3772781 0.80 KDM4E (0.49) HPGDGRM5SMN1; SMN2RAB9AKMT2A
SCHEMBL990847 0.80 GRM5 (0.49) HPGDALDH1A1GRM5NPC1RAB9A

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 HPGD 454/4885ALDH1A1 69/4885GRM5 3794/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 HPGD 454/4885ALDH1A1 69/4885GRM5 3794/4885

“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.