SCHEMBL21748573

SCHEMBL21748573

O=C(O)NC1CCN(CC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
SSTR1 P30872 1/20 0.54
SSTR4 P31391 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
TEAD1 P28347 1/20 0.49
CCR2 P41597 1/20 0.48
MCHR1 Q99705 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46

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
SCHEMBL5072231 0.87 ADRA1D (0.58) ALDH1A1SIGMAR1DRD4MCHR1MEN1
SCHEMBL21774707 0.81 USP14 (0.63) ALDH1A1SSTR1SSTR4DRD2MEN1
SCHEMBL3590338 0.81 SIGMAR1 (0.73) ALDH1A1SIGMAR1DRD4TEAD1MCHR1
SCHEMBL15340905 0.80 KMT2A (0.64) ALDH1A1MEN1KMT2A
SCHEMBL21748552 0.80 KMT2A (0.51) ALDH1A1DRD2MEN1KMT2A
SCHEMBL3587801 0.78 SIGMAR1 (0.61) SIGMAR1DRD4DRD2TEAD1CCR2
SCHEMBL4874296 0.77 ALDH1A1 (0.71) ALDH1A1MEN1KMT2A
SCHEMBL26921192 0.77 ALDH1A1 (0.59) ALDH1A1MEN1KMT2A
SCHEMBL22716940 0.76 DRD2 (0.66) SIGMAR1DRD4DRD2TEAD1CCR2
SCHEMBL3586870 0.76 SIGMAR1 (0.55) SIGMAR1DRD4TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-11 US disclosed
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 US disclosed
US-11045457-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-29 US disclosed
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-27 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 (4 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-11045457-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885SSTR1 4/4885SSTR4 1/4885
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885SSTR1 4/4885SSTR4 1/4885
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885SSTR1 4/4885SSTR4 1/4885
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885SSTR1 4/4885SSTR4 1/4885

“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.