SCHEMBL21775814

SCHEMBL21775814

Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2[N+](=O)[O-])cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
PDE9A O76083 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRM4 P08173 1/20 0.36
ATM Q13315 1/20 0.36
FUCA1 P04066 2/20 0.35
EED O75530 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL30783159 1.00 RORC (0.39) RORCMAPTL3MBTL1ALDH1A1NPBWR1
SCHEMBL21748962 1.00 RORC (0.39) RORCMAPTL3MBTL1ALDH1A1NPBWR1
SCHEMBL21748958 1.00 RORC (0.39) RORCMAPTL3MBTL1ALDH1A1NPBWR1
SCHEMBL12390491 0.84 LMNA (0.47) RORCEEDCCR5
SCHEMBL16965290 0.83 CCR5 (0.48) RORCMAPTALDH1A1FUCA1KDM4E
SCHEMBL1202290 0.83 CCR5 (0.48) RORCMAPTALDH1A1FUCA1KDM4E
SCHEMBL13229947 0.83 CCR5 (0.48) RORCMAPTALDH1A1FUCA1KDM4E
SCHEMBL1202294 0.83 CCR5 (0.48) RORCMAPTALDH1A1FUCA1KDM4E
SCHEMBL1977480 0.81 RORC (0.46) RORCMAPTALDH1A1KDM4EHTT
SCHEMBL2800422 0.81 RORC (0.46) RORCMAPTALDH1A1KDM4EHTT

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 RORC 1634/4885MAPT 4500/4885L3MBTL1 3792/4885
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R RORC 1634/4885MAPT 4500/4885L3MBTL1 3792/4885
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R RORC 1634/4885MAPT 4500/4885L3MBTL1 3792/4885

“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.