SCHEMBL4031182

SCHEMBL4031182

O=C(c1cn2c(n1)CCC(c1ccc(OCc3ccccc3)cc1)C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 6/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRM4 P08173 1/20 0.43
PDGFRA P16234 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
RECQL P46063 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL3664465 0.90 LMNA (0.49) LMNATP53MAPTHTTTSHR
SCHEMBL3661599 0.89 LMNA (0.54) LMNAMAPTHTTTSHRKMT2A
SCHEMBL3663079 0.88 TSHR (0.52) LMNAMAPTHTTTSHRKMT2A
SCHEMBL3661417 0.86 KMT2A (0.51) LMNAMAPTHTTTSHRKMT2A
SCHEMBL3667806 0.85 TP53 (0.51) LMNATP53MAPTHTTTSHR
SCHEMBL4030261 0.83 TSHR (0.51) LMNAMAPTHTTTSHRKMT2A
SCHEMBL3663993 0.82 TSHR (0.49) LMNAMAPTHTTTSHRKMT2A
SCHEMBL3661453 0.82 KMT2A (0.55) LMNAMAPTHTTTSHRKMT2A
SCHEMBL3660674 0.82 KMT2A (0.49) LMNATP53MAPTHTTTSHR
SCHEMBL3658680 0.81 KMT2A (0.49) LMNATP53MAPTHTTTSHR

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 9 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
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
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
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 LMNA 1246/4885TP53 4503/4885MAPT 374/4885

“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.