SCHEMBL21775812

SCHEMBL21775812

Cn1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.47
SSTR1 P30872 3/20 0.47
NTRK1 P04629 8/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE4B Q07343 1/20 0.42
SCD O00767 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
JAK1 P23458 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39

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
SCHEMBL21775811 1.00 SSTR4 (0.47) SSTR4SSTR1NTRK1KMT2AL3MBTL1
SCHEMBL13858620 0.88 KMT2A (0.52) NTRK1KMT2AL3MBTL1PDE4BKDM1A
SCHEMBL16780873 0.88 KMT2A (0.52) NTRK1KMT2AL3MBTL1PDE4BKDM1A
SCHEMBL15716485 0.88 KMT2A (0.52) NTRK1KMT2AL3MBTL1PDE4BKDM1A
SCHEMBL13858621 0.88 KMT2A (0.52) NTRK1KMT2AL3MBTL1PDE4BKDM1A
SCHEMBL21748604 0.87 NTRK1 (0.50) SSTR4SSTR1NTRK1AXLMERTK
SCHEMBL21748605 0.87 NTRK1 (0.50) SSTR4SSTR1NTRK1AXLMERTK
SCHEMBL28046375 0.84 KMT2A (0.45) NTRK1KMT2AL3MBTL1PDE4BKDM1A
SCHEMBL1986245 0.84 KMT2A (0.48) SSTR4KMT2AL3MBTL1PDE4BKDM1A
SCHEMBL2012023 0.84 KMT2A (0.48) SSTR4KMT2AL3MBTL1PDE4BKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 SSTR4 1/4885SSTR1 4/4885NTRK1 1406/4885
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R SSTR4 1/4885SSTR1 4/4885NTRK1 1406/4885
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R SSTR4 1/4885SSTR1 4/4885NTRK1 1406/4885

“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.