SCHEMBL3284072

SCHEMBL3284072

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.57
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL990125 1.00 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL3800762 0.93 GRM5 (0.52) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3713489 0.93 GRM5 (0.52) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3716584 0.91 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990340 0.90 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990851 0.90 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992719 0.90 GRM5 (0.47) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990840 0.90 GRM5 (0.60) GRM5L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL990817 0.90 GRM5 (0.60) GRM5L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2818567 0.89 L3MBTL1 (0.47) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 EP claimed
EP-2826478-A1 COMBINATIONS COMPRISING MGLUR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2015-01-21 EP disclosed
EP-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 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

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 GRM5 3794/4885L3MBTL1 4519/4885NPC1 677/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 GRM5 3794/4885L3MBTL1 4519/4885NPC1 677/4885

“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.