SCHEMBL2848952

SCHEMBL2848952

O=C(c1ccccn1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NAPRT Q6XQN6 1/20 0.59
P4HTM Q9NXG6 1/20 0.59
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
KMT2A Q03164 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
GSK3B P49841 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.45
PTGS2 P35354 1/20 0.44
TP53 P04637 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL4484238 0.85 LMNA (0.55) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL31006490 0.85 LMNA (0.55) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL14885759 0.83 LMNA (0.57) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL980972 0.82 L3MBTL1 (0.44) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL31098583 0.81 GAA (0.57) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL980180 0.81 LMNA (0.42) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL986289 0.81 HDAC6 (0.43) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL2850737 0.80 KDM4E (0.53) LMNANAPRTHDAC6ALDH1A1NPSR1
SCHEMBL14855279 0.79 LMNA (0.52) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL10690356 0.78 CES2 (0.61) LMNAL3MBTL1NAPRTP4HTMCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812418-B1 DIBENZOSUBERONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-27 EP disclosed
EP-1716132-B1 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-25 EP disclosed
EP-1812418-A1 DIBENZOSUBERONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-7220743-B2 Heterocyclic CB1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7144890-B2 Spiro-pentacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2006-12-05 US disclosed
EP-1716132-A2 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP disclosed
WO-2006050842-A1 DIBENZOSUBERONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO disclosed
US-20060100206-A1 Heterocyclic CB1 receptor antagonists F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-05-11 US disclosed
WO-2005075450-A2 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO disclosed
US-20050165012-A1 Spiro-pentacyclic compounds HOFFMANN-LA ROCHE INC. 2005-07-28 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-20060100206-A1 Heterocyclic CB1 receptor antagonists CNR1, CNR2, HCRTR2 LMNA 4272/4885L3MBTL1 3945/4885NAPRT 847/4885
US-20050165012-A1 Spiro-pentacyclic compounds CNR1, CNR2, GPR119 LMNA 2973/4885L3MBTL1 4740/4885NAPRT 612/4885

“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.