SCHEMBL2850737

SCHEMBL2850737

O=C(c1cnccn1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
TSHR P16473 3/20 0.47
ADORA3 P0DMS8 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
MC3R P41968 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 2/20 0.46
MAPT P10636 1/20 0.46
MCL1 Q07820 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL2848952 0.80 LMNA (0.59) KDM4ENAPRTALDH1A1MAPTGAA
SCHEMBL12043756 0.80 ALDH1A1 (0.47) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL2192774 0.76 PTGIR (0.51) KDM4ENAPRTHCAR2TSHRALDH1A1
SCHEMBL29058740 0.76 SIRT6 (0.46) NAPRTTSHRADORA3MC4RADRA1A
SCHEMBL13817566 0.74 HTT (0.65) HCAR2TSHRALDH1A1ALOX15MAPT
SCHEMBL16011500 0.74 KDM4E (0.59) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL30593013 0.73 KMT2A (0.63) KDM4ENAPRTHCAR2TSHRADORA3
Biphenyl SCHEMBL10419668 0.73 NAPRT (0.77) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL28269739 0.73 KDM4E (0.53) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL4019791 0.73 KMT2A (0.63) KDM4ENAPRTHCAR2TSHRADORA3

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 11 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
CN-101052632-A Dibenzosuberone derivatives HOFFMANN LA ROCHE (CH) 2007-10-10 CN 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 KDM4E 2067/4885NAPRT 847/4885HCAR2 20/4885
US-20050165012-A1 Spiro-pentacyclic compounds CNR1, CNR2, GPR119 KDM4E 3522/4885NAPRT 612/4885HCAR2 74/4885

“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.