SCHEMBL5151371

SCHEMBL5151371

ClCCc1ccc2nccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.42
SHMT2 P34897 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
DAO P14920 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.35
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
HDAC4 P56524 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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
SCHEMBL7029899 0.85 ECE2 (0.46) ECE2SHMT2NPC1RAB9AFLT3
Hydrochloric Acid SCHEMBL3813749 0.81 ECE2 (0.36) ECE2SHMT2NPC1RAB9AFLT3
SCHEMBL31287242 0.79 KDM4E (0.47) ECE2SHMT2NPC1RAB9ATDP1
SCHEMBL6851853 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AFLT3
SCHEMBL31287240 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AFLT3
SCHEMBL2859216 0.79 TAAR1 (0.45) ECE2SHMT2TDP1L3MBTL1MAPT
SCHEMBL5248396 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AFLT3
SCHEMBL5155836 0.79 KDM4E (0.47) ECE2SHMT2NPC1RAB9ATDP1
SCHEMBL9971308 0.79 CNR1 (0.44) ECE2SHMT2NPC1RAB9AGSK3B
SCHEMBL6177149 0.77 NR4A2 (0.55) NPC1RAB9ADAOHDAC6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555087-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2019-10-23 EP disclosed
WO-2018109202-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO disclosed
EP-1383762-B1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-06-20 EP disclosed
US-7186720-B2 Tetrahydropyridyl-alkyl-heterocycles, method for preparing the same and pharmaceutical compositions containing the same SANOFI-AVENTIS (FR) 2007-03-06 US disclosed
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-07-15 US disclosed
EP-1383762-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-28 EP disclosed
WO-2002085888-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-31 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 (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-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same CYP2F1, CYP11B1, CYP11B2 ECE2 3297/4885SHMT2 2068/4885NPC1 550/4885

“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.