SCHEMBL3663013

SCHEMBL3663013

O=C(O)c1cn2c(n1)CCC(c1ccc(OCc3ccccc3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
MCL1 Q07820 4/20 0.47
S1PR5 Q9H228 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
WDR5 P61964 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
KCNH2 Q12809 1/20 0.43
MDM2 Q00987 1/20 0.42
ADRA1A P35348 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
DHODH Q02127 1/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL3665949 0.85 ADRA1A (0.43) MCL1KCNH2ADRA1ANPC1RAB9A
SCHEMBL3664232 0.78 HDAC2 (0.44) ADRA1ANPC1RAB9ADHODH
SCHEMBL3668572 0.74 NPC1 (0.45) ADRA1ANPC1
SCHEMBL3662995 0.74 PARP14 (0.46) HRH3
SCHEMBL3664018 0.73 ALDH1A1 (0.39) MCL1MDM2NPC1RAB9ATP53
SCHEMBL21033483 0.73 GABRA2 (0.46) ADRA1ANPC1RAB9A
Hydrochloric Acid SCHEMBL4093442 0.73 ADRA1A (0.47) WDR5ADRA1A
SCHEMBL27843432 0.72 RAB9A (0.57) MRGPRX4S1PR5HRH3KCNH2NPC1
SCHEMBL4028305 0.72 SCD5 (0.45) ADRA1ANPC1
SCHEMBL3664719 0.72 MYC (0.41) ADRA1ANPC1RAB9ATP53

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 MRGPRX4 173/4885MCL1 4220/4885S1PR5 2634/4885

“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.