SCHEMBL3665381

SCHEMBL3665381

COc1ccc(C2CCc3nc(C(=O)O)cn3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.40
ACLY P53396 1/20 0.40
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
PROKR1 Q8TCW9 6/20 0.39
MYC P01106 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL4029030 0.88 STAT1 (0.36) ADRA1AALDH1A1LMNAHPGDHIF1A
SCHEMBL3664678 0.86 ADRA1A (0.48) ADRA1AALDH1A1HPGDPROKR1MYC
Hydrochloric Acid SCHEMBL4090130 0.83 ADRA1A (0.52) ADRA1AALDH1A1LMNARAB9AMAPT
SCHEMBL4026155 0.83 NPC1 (0.41) ADRA1AALDH1A1RAB9AMAPTPROKR1
Hydrochloric Acid SCHEMBL4089608 0.80 KDM4E (0.35) ADRA1AALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3658792 0.79 MEN1 (0.51) ALDH1A1LMNARAB9ATRPC3TRPC6
SCHEMBL24066066 0.79 HCAR2 (0.43) ADRA1APROKR1
SCHEMBL21001617 0.79 HCAR2 (0.43) ADRA1APROKR1
SCHEMBL21033253 0.79 HCAR2 (0.43) ADRA1APROKR1
SCHEMBL4026557 0.78 USP5 (0.40) ADRA1AHIF1APROKR1SMN1; SMN2

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 517/4885ALDH1A1 531/4885LMNA 1246/4885

“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.