SCHEMBL20522605

SCHEMBL20522605

CCOC(=O)C1CCN(c2cc(OC)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
HTT P42858 2/20 0.61
TP53 P04637 1/20 0.61
CTSB P07858 1/20 0.57
ALDH1A1 P00352 5/20 0.54
VCAM1 P19320 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.47
LGMN Q99538 1/20 0.47
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
S100A4 P26447 1/20 0.46
RECQL P46063 1/20 0.46
GPR174 Q9BXC1 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL3435071 0.85 MAPT (0.57) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL22712774 0.83 KMT2A (0.51) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL20522565 0.83 LGMN (0.61) MAPTHTTTP53CTSBALDH1A1
SCHEMBL20522603 0.81 MAPT (0.63) MAPTHTTTP53CTSBALDH1A1
SCHEMBL3436166 0.80 MAPT (0.57) MAPTHTTTP53CTSBALDH1A1
SCHEMBL6529147 0.78 MAPT (0.68) MAPTHTTTP53CTSBALDH1A1
SCHEMBL13648194 0.78 MAPT (0.64) MAPTHTTTP53CTSBALDH1A1
SCHEMBL20522608 0.77 MAPK1 (0.47) MAPTHTTTP53ALDH1A1KMT2A
SCHEMBL3435047 0.77 MAPT (0.69) MAPTHTTTP53CTSBALDH1A1
SCHEMBL13999700 0.76 MAPT (0.75) MAPTHTTTP53CTSBALDH1A1

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.