SCHEMBL4029675

SCHEMBL4029675

Cc1ccc(C2CCc3nc(C(=O)O)cn3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
PROKR1 Q8TCW9 9/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SRD5A1 P18405 1/20 0.36
P2RY14 Q15391 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL3664098 0.88 ADRA1A (0.54) ADRA1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL3667282 0.87 ADRA1A (0.35) ADRA1ASMN1; SMN2PROKR1MAPTHTT
SCHEMBL3664232 0.87 HDAC2 (0.44) ADRA1ARAB9ANPC1SMN1; SMN2PROKR1
Hydrochloric Acid SCHEMBL4090130 0.86 ADRA1A (0.52) ADRA1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL4026155 0.86 NPC1 (0.41) ADRA1ARAB9ANPC1SMN1; SMN2PROKR1
SCHEMBL3665381 0.86 ADRA1A (0.44) ADRA1ARAB9ANPC1SMN1; SMN2PROKR1
SCHEMBL3664719 0.85 MYC (0.41) ADRA1ATP53RAB9ANPC1SMN1; SMN2
SCHEMBL3665069 0.83 HTR7 (0.39) ADRA1ASMN1; SMN2PROKR1HTT
SCHEMBL3665949 0.83 ADRA1A (0.43) ADRA1ARAB9ANPC1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4090775 0.82 HTR7 (0.38) ADRA1APROKR1

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 ADRA1A 517/4885TP53 4503/4885RAB9A 1304/4885

“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.