SCHEMBL3633382

SCHEMBL3633382

CCCNc1cc(C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.56
MAPT P10636 7/20 0.55
ALDH1A1 P00352 4/20 0.55
PKM P14618 2/20 0.55
NPC1 O15118 1/20 0.55
CRHBP P24387 1/20 0.55
RAB9A P51151 1/20 0.55
CRHR2 Q13324 1/20 0.55
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
KAT2B Q92831 4/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29959789 0.90 MAPT (0.60) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL14334902 0.90 MAPT (0.60) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL1046521 0.87 HCAR3 (0.58) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL15239673 0.83 MAPT (0.61) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL12959657 0.82 KAT2B (0.69) MAPTALDH1A1PKMLMNAPOLB
SCHEMBL14335786 0.82 ALDH1A1 (0.63) MAPTALDH1A1LMNARECQLTDP1
SCHEMBL15666204 0.82 LMNA (0.79) HCAR3MAPTALDH1A1RAB9ALMNA
SCHEMBL29959799 0.82 ALDH1A1 (0.63) MAPTALDH1A1LMNARECQLTDP1
SCHEMBL3633359 0.81 HCAR3 (0.55) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL3636228 0.80 KAT2B (0.69) HCAR3MAPTALDH1A1PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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 (1 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 HCAR3 3456/4885MAPT 995/4885ALDH1A1 45/4885

“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.