SCHEMBL22490448

SCHEMBL22490448

O=C(COc1ccc(CO)cc1)N1CC[C@H](Cc2ccccc2OC(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
CYP2C9 P11712 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 4/20 0.42
CYP2J2 P51589 3/20 0.42
PDK2 Q15119 1/20 0.42
TACR3 P29371 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL22492925 0.86 MEN1 (0.52) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL19702692 0.82 ALDH1A1 (0.49) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL19702655 0.82 ALDH1A1 (0.49) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL19702645 0.82 ALDH1A1 (0.49) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL22491610 0.81 MEN1 (0.69) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL19702670 0.81 ALDH1A1 (0.46) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL19702590 0.80 ALDH1A1 (0.47) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL19702732 0.80 ALDH1A1 (0.47) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL22493088 0.80 MEN1 (0.55) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL19703260 0.79 MEN1 (0.48) MEN1KMT2APOLBALDH1A1MAPT

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.