SCHEMBL3354812

SCHEMBL3354812

CCCc1c(C(=O)OCC)cnn1Cc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
UCHL1 P09936 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.47
PDE4B Q07343 1/20 0.46
GAA P10253 3/20 0.45
ADORA1 P30542 1/20 0.45
NPBWR1 P48145 3/20 0.44
MCHR1 Q99705 1/20 0.44
PDE1A P54750 2/20 0.43
PDE1B Q01064 2/20 0.43
PDE1C Q14123 2/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 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
SCHEMBL2508219 0.92 NPC1 (0.55) NPC1LMNAUCHL1SMN1; SMN2KMT2A
SCHEMBL3358788 0.91 NPC1 (0.58) NPC1LMNAUCHL1SMN1; SMN2KMT2A
SCHEMBL5382860 0.87 SMN1; SMN2 (0.58) NPC1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL3360069 0.87 ALDH1A1 (0.48) NPC1LMNAUCHL1ALDH1A1MAPT
SCHEMBL2508856 0.86 NPC1 (0.54) NPC1LMNAUCHL1SMN1; SMN2KMT2A
SCHEMBL20745892 0.84 NPC1 (0.59) NPC1LMNAUCHL1SMN1; SMN2KMT2A
SCHEMBL2825933 0.84 NPC1 (0.54) NPC1LMNAUCHL1SMN1; SMN2KMT2A
SCHEMBL23122494 0.83 NPC1 (0.58) NPC1LMNAUCHL1SMN1; SMN2KMT2A
SCHEMBL370942 0.83 LMNA (0.80) NPC1LMNAUCHL1SMN1; SMN2KMT2A
SCHEMBL31564734 0.83 NPC1 (0.58) NPC1LMNAUCHL1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 NPC1 2378/4885LMNA 4777/4885UCHL1 3556/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPC1 2504/4885LMNA 4754/4885UCHL1 3651/4885

“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.