SCHEMBL4028305

SCHEMBL4028305

O=C(O)c1cn2c(n1)CCC(c1cccc(F)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.45
ADRA1A P35348 1/20 0.40
HDAC2 Q92769 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
USP5 P45974 1/20 0.37
NPC1 O15118 1/20 0.37
KMO O15229 1/20 0.37
SCD O00767 2/20 0.37
CNR1 P21554 1/20 0.36
CHRM4 P08173 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PDE5A O76074 1/20 0.36

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 0.86 ADRA1A (0.54) SCD5ADRA1AHCAR2NPC1SCD
SCHEMBL3664719 0.86 MYC (0.41) ADRA1AHDAC2USP5NPC1KMO
SCHEMBL3664510 0.85 HTR2C (0.42) ADRA1AUSP5KMOCHRM4
SCHEMBL3664232 0.85 HDAC2 (0.44) ADRA1AHDAC2HCAR2NPC1
Hydrochloric Acid SCHEMBL4090130 0.85 ADRA1A (0.52) SCD5ADRA1AHCAR2NPC1SCD
SCHEMBL4026557 0.84 USP5 (0.40) SCD5ADRA1AHDAC2HCAR2USP5
SCHEMBL3664678 0.83 ADRA1A (0.48) ADRA1AUSP5CHRM4
Hydrochloric Acid SCHEMBL4093442 0.82 ADRA1A (0.47) ADRA1AUSP5CHRM4
SCHEMBL3665069 0.81 HTR7 (0.39) ADRA1AHDAC2
SCHEMBL4027548 0.81 HCAR2 (0.47) SCD5HDAC2HCAR2KMO

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 SCD5 4289/4885ADRA1A 517/4885HDAC2 670/4885

“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.