SCHEMBL22493088

SCHEMBL22493088

O=C(COc1ccc(CO)cc1)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
MDH1 P40925 1/20 0.49
MDH2 P40926 1/20 0.49
ENPP2 Q13822 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TACR3 P29371 1/20 0.46
SLC2A1 P11166 1/20 0.46
LIPE Q05469 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MGLL Q99685 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL22491610 0.86 MEN1 (0.69) MEN1KMT2APOLBSMN1; SMN2TACR3
SCHEMBL19702689 0.85 LIPE (0.50) MEN1KMT2APOLBMDH1MDH2
SCHEMBL22493089 0.85 LIPE (0.50) MEN1KMT2APOLBMDH1MDH2
SCHEMBL22492925 0.83 MEN1 (0.52) MEN1KMT2APOLBSMN1; SMN2TACR3
SCHEMBL19702661 0.83 MDH1 (0.48) MEN1KMT2APOLBMDH1MDH2
SCHEMBL19702599 0.82 MDH1 (0.47) MEN1KMT2APOLBMDH1MDH2
SCHEMBL19702709 0.82 MDH1 (0.52) MDH1MDH2ENPP2MAPTALDH1A1
SCHEMBL19702293 0.81 MDH1 (0.48) MDH1MDH2ENPP2SMN1; SMN2MAPT
SCHEMBL19703084 0.81 MDH1 (0.48) MDH1MDH2ENPP2SMN1; SMN2MAPT
SCHEMBL19702954 0.81 MDH1 (0.46) MEN1KMT2APOLBMDH1MDH2

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-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME GDD THERAPEUTICS, LLC (US) 2020-10-01 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-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME SLC7A1, ABCG2, SLC46A1 MEN1 3103/4885KMT2A 4536/4885POLB 650/4885

“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.