SCHEMBL1691191

SCHEMBL1691191

COc1ccc(C(=O)N(C)N)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 14/20 0.55
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL1003506 0.87 CPS1 (0.58) CPS1HPGDKMT2AMEN1LMNA
SCHEMBL30514003 0.84 CPS1 (0.55) CPS1HPGDKMT2AMEN1LMNA
SCHEMBL17700424 0.81 CPS1 (0.49) CPS1HPGDKMT2AMEN1LMNA
SCHEMBL18327552 0.80 PDK2 (0.45) CPS1KMT2ARAB9A
SCHEMBL72082 0.80 CPS1 (0.61) CPS1HPGDKMT2AMEN1LMNA
SCHEMBL17993989 0.78 ESRRG (0.39) HPGDKMT2AMEN1LMNAALDH1A1
SCHEMBL29639738 0.78 ALDH1A1 (0.65) CPS1HPGDKMT2AMEN1LMNA
SCHEMBL531399 0.78 ALDH1A1 (0.65) CPS1HPGDKMT2AMEN1LMNA
SCHEMBL1051747 0.78 CPS1 (0.63) CPS1HPGDKMT2AMEN1LMNA
SCHEMBL25568108 0.77 GAA (0.43) LMNAALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed
US-8349871-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
EP-2342200-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (3 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CPS1 4221/4885HPGD 711/4885KMT2A 3675/4885
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CPS1 3394/4885HPGD 589/4885KMT2A 3917/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CPS1 3394/4885HPGD 589/4885KMT2A 3917/4885

“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.