SCHEMBL3667282

SCHEMBL3667282

Cc1cc(C)cc(C2CCc3nc(C(=O)O)cn3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.35
HDAC2 Q92769 1/20 0.33
WDR5 P61964 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTGER1 P34995 2/20 0.32
RBP4 P02753 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RIPK1 Q13546 2/20 0.31
TPMT P51580 1/20 0.31
BRD4 O60885 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL3664719 0.88 MYC (0.41) ADRA1AHDAC2PROKR1KMT2ASMN1; SMN2
SCHEMBL3660427 0.84 KDM4E (0.35) ADRA1AHDAC2WDR5RXFP1KDM4E
SCHEMBL4029030 0.84 STAT1 (0.36) ADRA1AHDAC2WDR5SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL4089608 0.83 KDM4E (0.35) ADRA1AHDAC2WDR5RXFP1KDM4E
SCHEMBL24066066 0.82 HCAR2 (0.43) ADRA1APROKR1RIPK1HCAR2
SCHEMBL21001617 0.82 HCAR2 (0.43) ADRA1APROKR1RIPK1HCAR2
SCHEMBL21033253 0.82 HCAR2 (0.43) ADRA1APROKR1RIPK1HCAR2
Hydrochloric Acid SCHEMBL4090130 0.81 ADRA1A (0.52) ADRA1AKMT2ASMN1; SMN2RIPK1HCAR2
SCHEMBL3660758 0.81 P2RY14 (0.39) ADRA1AHDAC2RBP4PROKR1KDM4E
SCHEMBL3665069 0.81 HTR7 (0.39) ADRA1AHDAC2RBP4PROKR1KDM4E

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 6 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-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
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 ADRA1A 517/4885HDAC2 670/4885WDR5 2713/4885

“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.