SCHEMBL3665949

SCHEMBL3665949

O=C(O)c1cn2c(n1)CCC(c1ccc(Oc3ccccc3)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.43
MMP3 P08254 1/20 0.42
MCL1 Q07820 7/20 0.41
PARP14 Q460N5 3/20 0.39
PARP10 Q53GL7 3/20 0.39
MGLL Q99685 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3664098 0.89 ADRA1A (0.54) ADRA1AALDH1A1LMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4090130 0.87 ADRA1A (0.52) ADRA1AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3668572 0.87 NPC1 (0.45) ADRA1AMMP3ALDH1A1NPC1
SCHEMBL3662995 0.87 PARP14 (0.46) MMP3PARP14PARP10MGLLALDH1A1
SCHEMBL3665381 0.87 ADRA1A (0.44) ADRA1AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3663013 0.85 MRGPRX4 (0.47) ADRA1AMCL1KCNH2NPC1RAB9A
SCHEMBL3663005 0.84 GAA (0.42) MMP3PARP14PARP10MGLLALDH1A1
SCHEMBL11889974 0.84 ALDH1A1 (0.45) MMP3PARP14PARP10MGLLALDH1A1
SCHEMBL3664018 0.84 ALDH1A1 (0.39) MMP3MCL1ALDH1A1LMNASMN1; SMN2
SCHEMBL4029675 0.83 ADRA1A (0.41) ADRA1AALDH1A1LMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
EP-2235013-B1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2012-08-01 EP disclosed
EP-2235013-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2010-10-06 EP disclosed
WO-2009092565-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2009-07-30 WO disclosed
EP-2083009-A1 Substituted tetrahydroimidazopyridine compounds and their use in medicine Grünenthal GmbH (DE) 2009-07-29 EP disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 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 (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-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR ADRA1A 517/4885MMP3 1391/4885MCL1 4220/4885

“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.