SCHEMBL12239157

SCHEMBL12239157

FC(F)(F)c1ccc(N2CCC(Oc3ccc(CN4CCCCC4)cc3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 2/20 0.64
ADRB2 P07550 1/20 0.57
HRH3 Q9Y5N1 5/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM4 P08173 2/20 0.49
ABL1 P00519 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45

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
SCHEMBL12239156 0.86 PRKAA2 (0.59) PRKAA2ADRB2HRH3CHRM4
SCHEMBL1006219 0.86 PRKAA2 (0.62) PRKAA2ADRB2HRH3KDM4EALDH1A1
SCHEMBL19892721 0.85 KDM4E (0.57) PRKAA2HRH3KDM4EALDH1A1LMNA
SCHEMBL425198 0.79 HRH3 (0.56) PRKAA2HRH3KDM4ELMNAABL1
SCHEMBL519004 0.78 PRKAA2 (1.00) PRKAA2ADRB2
SCHEMBL13279374 0.77 PRKAA2 (0.55) PRKAA2HRH3KDM4EALDH1A1LMNA
SCHEMBL385239 0.77 KDM4E (0.48) PRKAA2HRH3KDM4ELMNAABL1
SCHEMBL16433602 0.76 SCD (0.48) PRKAA2HRH3KDM4ELMNASMN1; SMN2
SCHEMBL16433609 0.75 HRH3 (0.55) HRH3KDM4ELMNAABL1
SCHEMBL11956890 0.75 KDM4E (0.51) HRH3KDM4EALDH1A1LMNASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 PRKAA2 2325/4885ADRB2 131/4885HRH3 250/4885

“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.