SCHEMBL4088754

SCHEMBL4088754

FC(F)(F)c1cccc(C2CCc3nccn3C2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.65
ADRA1D P25100 4/20 0.47
HTR2C P28335 2/20 0.47
KCNH2 Q12809 2/20 0.45
TACR1 P25103 1/20 0.45
DRD2 P14416 1/20 0.43
ADRA1B P35368 2/20 0.40
GRM2 Q14416 1/20 0.39
ADRA2A P08913 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL4093575 0.87 ADRA1A (0.63) ADRA1AADRA1DKCNH2TACR1ADRA1B
SCHEMBL11385249 0.80 HTR2C (0.47) ADRA1AHTR2CDRD2GRM2PRKDC
SCHEMBL3664510 0.75 HTR2C (0.42) ADRA1AHTR2CDRD2GRM2
SCHEMBL11375240 0.74 HTR2C (0.46) HTR2CDRD2GRM2
SCHEMBL4088031 0.73 ADRA1A (0.59) ADRA1AADRA1DKCNH2TACR1ADRA1B
SCHEMBL3662919 0.72 HPGD (0.46)
SCHEMBL1065758 0.71 HTR2C (0.77) HTR2CDRD2GRM2
SCHEMBL15335808 0.69 HTR2C (0.64) HTR2CDRD2GRM2
SCHEMBL9230752 0.69 DRD2 (0.64) HTR2CDRD2GRM2
SCHEMBL2532290 0.68 HTR2C (0.72) HTR2CDRD2

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 269/4885HTR2C 181/4885

“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.