SCHEMBL3662995

SCHEMBL3662995

O=C(c1cn2c(n1)CCC(c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.46
PARP10 Q53GL7 3/20 0.46
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
RIPK1 Q13546 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MGLL Q99685 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
HTT P42858 1/20 0.40
MMP3 P08254 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.40
BTK Q06187 1/20 0.40
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 1/20 0.39

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
SCHEMBL11889974 0.91 ALDH1A1 (0.45) PARP14PARP10ALDH1A1LMNAPLA2G1B
SCHEMBL3663005 0.91 GAA (0.42) PARP14PARP10ALDH1A1LMNAHPGD
SCHEMBL3662206 0.91 ALDH1A1 (0.42) PARP14PARP10ALDH1A1LMNAHPGD
SCHEMBL11889819 0.90 PLA2G1B (0.47) PARP14PARP10ALDH1A1LMNAHPGD
SCHEMBL3665949 0.87 ADRA1A (0.43) PARP14PARP10ALDH1A1LMNAMGLL
SCHEMBL13256609 0.87 MGLL (0.39) PARP14PARP10ALDH1A1LMNAHRH3
SCHEMBL3663190 0.85 TSHR (0.53) PARP10ALDH1A1MAPK1
SCHEMBL3665987 0.85 TSHR (0.56) ALDH1A1LMNAHPGDPLA2G1BATG4B
SCHEMBL3664465 0.82 LMNA (0.49) ALDH1A1LMNAMGLLHTTMAPK1
SCHEMBL3668572 0.81 NPC1 (0.45) ALDH1A1RIPK1MMP3

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
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 claimed
EP-2235013-B1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2012-08-01 EP claimed
EP-2235013-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2010-10-06 EP claimed
WO-2009092565-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2009-07-30 WO claimed
EP-2083009-A1 Substituted tetrahydroimidazopyridine compounds and their use in medicine Grünenthal GmbH (DE) 2009-07-29 EP claimed
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 claimed
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-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 PARP14 1018/4885PARP10 1036/4885ALDH1A1 531/4885

“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.