SCHEMBL20522603

SCHEMBL20522603

CCOC(=O)C1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
HTT P42858 2/20 0.63
TP53 P04637 2/20 0.63
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
CTSB P07858 1/20 0.59
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
VCAM1 P19320 1/20 0.53
KDM4E B2RXH2 2/20 0.52
RECQL P46063 1/20 0.52
LGMN Q99538 1/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6529147 0.86 MAPT (0.68) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL390151 0.84 MAPT (0.55) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL388740 0.84 GPR119 (0.64) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL386366 0.83 MAPT (0.55) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL389367 0.83 MAPT (0.59) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL3435047 0.83 MAPT (0.69) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL389195 0.83 GPR119 (0.63) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL389027 0.83 GPR119 (0.55) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL20522579 0.82 LGMN (0.74) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL20522649 0.82 ALDH1A1 (0.64) MAPTHTTTP53ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders SCOHIA PHARMA, INC. (JP) 2021-04-06 US disclosed
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-03 US disclosed
EP-3601260-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
CN-110678458-A Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders 武田药品工业株式会社 2020-01-10 CN disclosed
WO-2018182050-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO 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 (2 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-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders GLP1R, GPR119, GPR65 MAPT 4338/4885HTT 997/4885TP53 1565/4885
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GLP1R, GPR119, GPR65 MAPT 4338/4885HTT 997/4885TP53 1565/4885

“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.