SCHEMBL21748680

SCHEMBL21748680

Cn1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2[N+](=O)[O-])cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
EED O75530 1/20 0.37
RORC P51449 2/20 0.37
PDE9A O76083 2/20 0.37
PDE1C Q14123 2/20 0.37
KAT2B Q92831 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FUCA1 P04066 2/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL21748682 1.00 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHTTEED
SCHEMBL21748678 1.00 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHTTEED
SCHEMBL1202294 0.84 CCR5 (0.48) ALDH1A1MAPTKDM4EHTTRORC
SCHEMBL13229947 0.84 CCR5 (0.48) ALDH1A1MAPTKDM4EHTTRORC
SCHEMBL16965290 0.84 CCR5 (0.48) ALDH1A1MAPTKDM4EHTTRORC
SCHEMBL1202290 0.84 CCR5 (0.48) ALDH1A1MAPTKDM4EHTTRORC
SCHEMBL12390491 0.81 LMNA (0.47) EEDRORCCCR5
SCHEMBL21775814 0.81 RORC (0.39) ALDH1A1MAPTKDM4EHTTEED
SCHEMBL21748962 0.81 RORC (0.39) ALDH1A1MAPTKDM4EHTTEED
SCHEMBL21748958 0.81 RORC (0.39) ALDH1A1MAPTKDM4EHTTEED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049772-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-13 US disclosed
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-11 US disclosed
CN-112236423-B Piperidinyl-3- (aryloxy) propanamides and propionic acid esters 武田药品工业株式会社 2024-02-06 CN disclosed
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 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-11045457-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-29 US disclosed
CN-112236423-A Piperidinyl-3- (aryloxy) propanamides and propionates 武田药品工业株式会社 2021-01-15 CN disclosed
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-27 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 (5 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 1476/4885MAPT 4500/4885KDM4E 1799/4885
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885MAPT 4500/4885KDM4E 1799/4885
US-20250049772-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885MAPT 4500/4885KDM4E 1799/4885
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885MAPT 4500/4885KDM4E 1799/4885
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885MAPT 4500/4885KDM4E 1799/4885

“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.