SCHEMBL3606370

SCHEMBL3606370

COCCN(C)c1ncc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
AOC3 Q16853 1/20 0.41
DGAT1 O75907 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
MAPK1 P28482 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
CYP1A2 P05177 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
DYRK1A Q13627 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL7469761 0.83 SLC29A1 (0.37) ALDH1A1DYRK1AHSD17B10
SCHEMBL2789122 0.81 ACACB (0.41) ACACBAOC3DGAT1ALDH1A1KCNQ3
SCHEMBL12812529 0.81 ACACB (0.41) ACACBAOC3DGAT1ALDH1A1KCNQ3
SCHEMBL8486135 0.80 AOC3 (0.41) ACACBAOC3DGAT1ALDH1A1KCNQ3
Hydrochloric Acid SCHEMBL3141149 0.80 ACACB (0.40) ACACBAOC3DGAT1ALDH1A1KCNQ3
SCHEMBL18694633 0.79 ACACB (0.42) ACACBAOC3DGAT1ALDH1A1KCNQ3
SCHEMBL5253357 0.77 GBA1 (0.50) DGAT1ALDH1A1
SCHEMBL22078918 0.77 HDAC1 (0.51) ACACBDGAT1KCNQ3KCNQ2PIK3CD
SCHEMBL17075550 0.76 KDM4E (0.56) ACACBAOC3DGAT1ALDH1A1KCNQ3
SCHEMBL2038058 0.76 ACACB (0.36) ACACBAOC3DGAT1ALDH1A1KCNQ3

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-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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 (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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB ACACB 3170/4885AOC3 894/4885DGAT1 247/4885
US-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 ACACB 2978/4885AOC3 357/4885DGAT1 1116/4885

“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.