SCHEMBL3658792

SCHEMBL3658792

COc1ccc(C2CCc3nc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MGLL Q99685 1/20 0.51
NPC1 O15118 1/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
TRPC3 Q13507 1/20 0.47
TRPC6 Q9Y210 1/20 0.47
CHRM4 P08173 1/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL3663319 0.91 CYP2C9 (0.50) MEN1KMT2ASMN1; SMN2MGLLCYP2C9
SCHEMBL3661932 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MGLLNPC1
SCHEMBL11914430 0.90 MGLL (0.51) SMN1; SMN2MGLLCYP2C9CYP2C19MAPK14
SCHEMBL3663763 0.89 PKM (0.47) SMN1; SMN2MGLLNPC1CYP2C9CYP2C19
SCHEMBL3663024 0.88 CYP2C9 (0.48) MEN1KMT2AMGLLNPC1CYP2C9
SCHEMBL3660418 0.87 CYP2C9 (0.46) MEN1KMT2ASMN1; SMN2MGLLNPC1
SCHEMBL3664122 0.84 MGLL (0.50) SMN1; SMN2MGLLCYP2C9CYP2C19MAPK14
SCHEMBL3660224 0.83 CYP2C9 (0.46) MEN1KMT2ASMN1; SMN2MGLLCYP2C9
SCHEMBL3660865 0.82 SCD5 (0.49) MEN1KMT2AMGLLCYP2C9CYP2C19
SCHEMBL3662517 0.82 MAPK14 (0.52) MEN1KMT2ASMN1; SMN2MGLLNPC1

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 19 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
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
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-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
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
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
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
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 MEN1 248/4885KMT2A 943/4885SMN1; SMN2 422/4885

“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.