SCHEMBL3660427

SCHEMBL3660427

COc1c(C)cc(C2CCc3nc(C(=O)O)cn3C2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ECE1 P42892 3/20 0.35
ALDH1A1 P00352 6/20 0.33
LMNA P02545 3/20 0.33
GPR35 Q9HC97 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
ADRA1A P35348 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC2 Q92769 1/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
WDR5 P61964 1/20 0.31
RAB9A P51151 1/20 0.31

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
Hydrochloric Acid SCHEMBL4089608 0.99 KDM4E (0.35) KDM4EECE1ALDH1A1LMNAGPR35
SCHEMBL4029030 0.86 STAT1 (0.36) ALDH1A1LMNASMN1; SMN2ADRA1AHDAC2
SCHEMBL3667282 0.84 ADRA1A (0.35) KDM4ESMN1; SMN2ADRA1ARXFP1KMT2A
SCHEMBL3666531 0.82 WDR5 (0.41) KDM4EALDH1A1SMN1; SMN2WDR5RAB9A
SCHEMBL11914203 0.81
SCHEMBL3665381 0.81 ADRA1A (0.44) ALDH1A1LMNASMN1; SMN2ADRA1ARAB9A
SCHEMBL3663994 0.81 PDE10A (0.35) KDM4ESMN1; SMN2MEN1KMT2AWDR5
SCHEMBL3665069 0.81 HTR7 (0.39) KDM4ESMN1; SMN2ADRA1AKMT2AHDAC2
Hydrochloric Acid SCHEMBL4090775 0.80 HTR7 (0.38) ADRA1AHDAC2
SCHEMBL3664678 0.80 ADRA1A (0.48) ALDH1A1ADRA1AWDR5

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 11 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
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

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 KDM4E 1006/4885ECE1 1156/4885ALDH1A1 531/4885

“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.