SCHEMBL4088745

SCHEMBL4088745

COc1ccc(F)cc1C1CCc2nccn2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.57
ADRA1D P25100 4/20 0.47
ADRA1B P35368 3/20 0.47
ADRA2A P08913 2/20 0.47
TACR1 P25103 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRM2 Q14416 2/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE1B Q01064 1/20 0.40

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
SCHEMBL3663723 0.76 RBP4 (0.40) SLC6A3
SCHEMBL21231846 0.73 SLC6A2 (0.54) GRM2SLC6A3
SCHEMBL4100902 0.71 ADRA1A (0.57) ADRA1AADRA1DADRA1BADRA2ATACR1
SCHEMBL2571867 0.71 PTGDR2 (0.56) SLC6A3
SCHEMBL6926374 0.69 CCNT1 (0.50) GRM2SLC6A3
SCHEMBL5020036 0.68 GRM2 (0.58) GRM2SLC6A3
SCHEMBL5020026 0.67 HTR2C (0.66) SLC6A3
SCHEMBL18361621 0.67 SLC6A2 (0.51) TACR1SLC6A3
SCHEMBL12896953 0.67 CHRM4 (0.53) ADRA1AADRA1DADRA1BGRM2SLC6A3
SCHEMBL12897047 0.67 CHRM4 (0.53) ADRA1AADRA1DADRA1BGRM2SLC6A3

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 2 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-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 517/4885ADRA1D 269/4885ADRA1B 591/4885

“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.