SCHEMBL21748756

SCHEMBL21748756

Cn1cc([C@H]2CNC[C@@H]2NC(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAPK1 P28482 3/20 0.39
AKT1 P31749 5/20 0.38
ROCK2 O75116 2/20 0.38
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
NTRK1 P04629 2/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL21748758 1.00 HDAC3 (0.42) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL21775809 0.83 KDM1A (0.40) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL21775810 0.83 KDM1A (0.40) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL21748640 0.80 SSTR4 (0.54) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL21748643 0.80 SSTR4 (0.54) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL21748547 0.77 SSTR4 (0.52) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL21748550 0.77 SSTR4 (0.52) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL3423982 0.73 SSTR4 (0.51) HDAC4MAPK1ROCK2SSTR4MAOA
SCHEMBL13858703 0.73 SSTR4 (0.51) HDAC4MAPK1ROCK2SSTR4MAOA
SCHEMBL13858700 0.73 SSTR4 (0.51) HDAC4MAPK1ROCK2SSTR4MAOA

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 HDAC3 1985/4885HDAC4 1112/4885HDAC7 2556/4885
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R HDAC3 1985/4885HDAC4 1112/4885HDAC7 2556/4885
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R HDAC3 1985/4885HDAC4 1112/4885HDAC7 2556/4885
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R HDAC3 1985/4885HDAC4 1112/4885HDAC7 2556/4885

“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.