SCHEMBL19985850

SCHEMBL19985850

O=C(O)[C@H]1CN(Cc2ccccc2)C(=O)CC1c1c(F)cc(CO)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.51
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCKBR P32239 1/20 0.40

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
SCHEMBL19985851 0.88 FPR1 (0.45) HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19985847 0.87 DPP4 (0.45) DPP4ALDH1A1MEN1GAAKMT2A
SCHEMBL19972328 0.86 FPR1 (0.49) DPP4HTTALDH1A1MEN1GAA
SCHEMBL19972327 0.86 FPR1 (0.49) DPP4HTTALDH1A1MEN1GAA
SCHEMBL19972331 0.86 FPR1 (0.49) DPP4HTTALDH1A1MEN1GAA
SCHEMBL1243424 0.82 DPP4 (0.71) DPP4HTTALDH1A1MEN1GAA
SCHEMBL1243419 0.82 DPP4 (0.71) DPP4HTTALDH1A1MEN1GAA
SCHEMBL1243422 0.82 DPP4 (0.71) DPP4HTTALDH1A1MEN1GAA
SCHEMBL19985859 0.81 HPGD (0.51) DPP4HTTALDH1A1KMT2AHPGD
SCHEMBL19972390 0.80 FPR1 (0.49) HTTALDH1A1KMT2ASMN1; 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 DPP4 4385/4885HTT 3532/4885ALDH1A1 3156/4885

“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.