SCHEMBL4029030

SCHEMBL4029030

COc1cc(OC)cc(C2CCc3nc(C(=O)O)cn3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.36
FGFR4 P22455 2/20 0.34
ADRA1A P35348 2/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EGFR P00533 1/20 0.33
GAA P10253 1/20 0.33
WDR5 P61964 1/20 0.33
NSD2 O96028 1/20 0.32
NSD1 Q96L73 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
HPSE Q9Y251 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL3664678 0.89 ADRA1A (0.48) ADRA1AALDH1A1HPGDWDR5NSD2
SCHEMBL3665381 0.88 ADRA1A (0.44) ADRA1AALDH1A1LMNAHPGDHIF1A
Hydrochloric Acid SCHEMBL4093442 0.88 ADRA1A (0.47) ADRA1AALDH1A1HPGDWDR5NSD2
SCHEMBL3660427 0.86 KDM4E (0.35) ADRA1AALDH1A1LMNAWDR5RAB9A
Hydrochloric Acid SCHEMBL4089608 0.85 KDM4E (0.35) ADRA1AALDH1A1LMNAWDR5RAB9A
SCHEMBL3667282 0.84 ADRA1A (0.35) ADRA1AHIF1AWDR5RIPK1HDAC2
SCHEMBL3664098 0.79 ADRA1A (0.54) ADRA1AALDH1A1LMNAGAARAB9A
SCHEMBL24066066 0.79 HCAR2 (0.43) ADRA1AHCRTR1HCRTR2RIPK1
SCHEMBL4029675 0.79 ADRA1A (0.41) ADRA1AALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL21033253 0.79 HCAR2 (0.43) ADRA1AHCRTR1HCRTR2RIPK1

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 4 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
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 STAT1 4691/4885FGFR4 1828/4885ADRA1A 517/4885

“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.