SCHEMBL4093575

SCHEMBL4093575

FC(F)(F)c1cc(C2CCc3nccn3C2)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.63
TACR1 P25103 2/20 0.50
KCNH2 Q12809 2/20 0.50
ADRA1D P25100 6/20 0.44
ADRA1B P35368 2/20 0.38
ADRA2A P08913 2/20 0.36
MAP3K12 Q12852 1/20 0.36
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4088754 0.87 ADRA1A (0.65) ADRA1ATACR1KCNH2ADRA1DADRA1B
SCHEMBL13254801 0.77 ADRA1A (0.36) ADRA1ATACR1KCNH2NOTUM
SCHEMBL4100902 0.73 ADRA1A (0.57) ADRA1ATACR1KCNH2ADRA1DADRA1B
SCHEMBL3660758 0.73 P2RY14 (0.39) ADRA1AADRA2A
SCHEMBL4088031 0.72 ADRA1A (0.59) ADRA1ATACR1KCNH2ADRA1DADRA1B
SCHEMBL18775097 0.68 ADRA1A (0.54) ADRA1ATACR1KCNH2ADRA1DADRA1B
SCHEMBL15562144 0.67 NOTUM (0.53) NOTUM
SCHEMBL11385249 0.66 HTR2C (0.47) ADRA1A
SCHEMBL12256570 0.65 ADRA1A (0.54) ADRA1ATACR1KCNH2ADRA1DADRA1B
SCHEMBL20690444 0.65 ADRA1A (0.54) ADRA1ATACR1KCNH2ADRA1DADRA1B

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 517/4885TACR1 246/4885KCNH2 52/4885

“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.