SCHEMBL990882

SCHEMBL990882

Cc1ccc(C(=O)N[C@H]2CCC[C@@](O)(C#Cc3cccc(Cl)c3)C2)c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.45
ACKR3 P25106 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL990944 0.87 GRM5 (0.58) GRM5NPC1RAB9ACNR2
SCHEMBL1906015 0.87 GRM5 (0.58) GRM5NPC1RAB9ACNR2
SCHEMBL990821 0.85 GRM5 (0.44) GRM5ACKR3
SCHEMBL989512 0.84 GRM5 (0.45) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992322 0.84 GRM5 (0.45) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990968 0.84 GRM5 (0.45) GRM5ACKR3L3MBTL1RAB9A
SCHEMBL990087 0.83 LMNA (0.50) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990865 0.83 NPC1 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990179 0.83 GRM5 (0.46) GRM5ACKR3NPC1RAB9A
SCHEMBL990361 0.83 LMNA (0.50) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 EP claimed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 US claimed
EP-2826478-A1 COMBINATIONS COMPRISING MGLUR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2015-01-21 EP disclosed
WO-2013131981-A1 PREDICTIVE MARKERS USEFUL IN THE DIAGNOSIS AND TREATMENT OF FRAGILE X SYNDROME (FXS) NOVARTIS AG (CH) 2013-09-12 WO disclosed
EP-2563934-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) Novartis AG (CH) 2013-03-06 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 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
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 US disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 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 GRM5 3794/4885ACKR3 530/4885L3MBTL1 4519/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 GRM5 3794/4885ACKR3 530/4885L3MBTL1 4519/4885

“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.