SCHEMBL3101669

SCHEMBL3101669

COC1CN(C(=O)OC(C)(C)C)CCC1Nc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
BACE1 P56817 1/20 0.39
EPHX2 P34913 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 2/20 0.37
MMP13 P45452 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
SCHEMBL3101666 1.00 LMNA (0.41) LMNANPSR1GPR119MAPTALDH1A1
SCHEMBL3101675 1.00 LMNA (0.41) LMNANPSR1GPR119MAPTALDH1A1
SCHEMBL3104469 0.89 LMNA (0.43) LMNANPSR1GPR119MAPTALDH1A1
SCHEMBL3104465 0.89 LMNA (0.43) LMNANPSR1GPR119MAPTALDH1A1
SCHEMBL3104468 0.89 LMNA (0.43) LMNANPSR1GPR119MAPTALDH1A1
SCHEMBL3094959 0.83 ALDH1A1 (0.55) LMNANPSR1GPR119MAPTALDH1A1
SCHEMBL16896124 0.82 USP30 (0.49) LMNANPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL14041860 0.82 LMNA (0.46) LMNANPSR1GPR119MAPTALDH1A1
SCHEMBL16791245 0.82 USP30 (0.49) LMNANPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16901716 0.81 HCAR3 (0.47) LMNANPSR1MAPTALDH1A1SMN1; SMN2

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-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 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 (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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R LMNA 3483/4885NPSR1 26/4885GPR119 8/4885

“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.