SCHEMBL3663005

SCHEMBL3663005

CC1CCN(C(=O)c2cn3c(n2)CCC(c2ccc(Oc4ccccc4)cc2)C3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PARP14 Q460N5 3/20 0.42
PARP10 Q53GL7 3/20 0.42
ACHE P22303 1/20 0.42
TRPC6 Q9Y210 4/20 0.42
TRPC3 Q13507 3/20 0.42
HSD11B1 P28845 2/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MGLL Q99685 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
SCHEMBL3662995 0.91 PARP14 (0.46) PARP14PARP10TRPC6TRPC3HSD11B1
SCHEMBL3662206 0.90 ALDH1A1 (0.42) PARP14PARP10TRPC6TRPC3HTT
SCHEMBL11889974 0.90 ALDH1A1 (0.45) GAAPARP14PARP10TRPC6TRPC3
SCHEMBL3663190 0.86 TSHR (0.53) GAAPARP10ALDH1A1MEN1KMT2A
SCHEMBL3665949 0.84 ADRA1A (0.43) PARP14PARP10ALDH1A1LMNASMN1; SMN2
SCHEMBL13256609 0.84 MGLL (0.39) GAAPARP14PARP10TRPC6TRPC3
SCHEMBL11889819 0.84 PLA2G1B (0.47) PARP14PARP10ALDH1A1LMNAMEN1
SCHEMBL3665987 0.81 TSHR (0.56) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL3658792 0.81 MEN1 (0.51) TRPC6TRPC3ALDH1A1LMNAMEN1
SCHEMBL3664465 0.79 LMNA (0.49) GAAHTTALDH1A1LMNAMEN1

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-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-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 GAA 2843/4885PARP14 1018/4885PARP10 1036/4885

“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.