SCHEMBL3663653

SCHEMBL3663653

O=C(c1cn2c(n1)CCC(c1cc(F)ccc1F)C2)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
HDAC2 Q92769 2/20 0.39
SCD5 Q86SK9 1/20 0.39
HDAC1 Q13547 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NTRK1 P04629 5/20 0.39
JAK2 O60674 4/20 0.39
HCAR2 Q8TDS4 2/20 0.39
PDE2A O00408 1/20 0.38
PROKR1 Q8TCW9 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL4027548 0.85 HCAR2 (0.47) RIPK1HDAC2SCD5HDAC1NTRK1
SCHEMBL3659331 0.78 PROKR1 (0.46) RIPK1MAPTPROKR1MEN1KMT2A
SCHEMBL3664333 0.76 PROKR1 (0.44) NPC1RAB9ATP53PROKR1MEN1
SCHEMBL3659240 0.75 HPGD (0.42) SCD5PROKR1MEN1KMT2A
SCHEMBL3663167 0.74 PROKR1 (0.48) RIPK1SCD5NPC1RAB9ATP53
SCHEMBL3662919 0.74 HPGD (0.46) SCD5MEN1KMT2AALDH1A1
SCHEMBL3667047 0.74 TSHR (0.47) NPC1RAB9AMAPTHTTMEN1
SCHEMBL3663723 0.73 RBP4 (0.40) HDAC2NTRK1PDE2A
SCHEMBL3665945 0.73 PROKR1 (0.44) NPC1RAB9AMAPTPROKR1MEN1
SCHEMBL22536728 0.73 FASN (0.41) HDAC2NPC1RAB9AMAPTPROKR1

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 RIPK1 3344/4885HDAC2 670/4885SCD5 4289/4885

“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.