SCHEMBL21227897

SCHEMBL21227897

O=C(N[C@H]1CC[C@H](N2CCOCC2=O)CC1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
F10 P00742 1/20 0.52
DPP4 P27487 7/20 0.50
DPP7 Q9UHL4 7/20 0.50
KCNH2 Q12809 4/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GPR55 Q9Y2T6 2/20 0.48
EPHX1 P07099 1/20 0.48

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
SCHEMBL85637 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRF10DPP4
SCHEMBL21227837 0.85 ALDH1A1 (0.58) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL1972508 0.81 MEN1 (0.62) F10MEN1KMT2A
SCHEMBL29629027 0.80 ALDH1A1 (0.57) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL28721342 0.79 GAA (0.59) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL28721339 0.79 GAA (0.59) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL3948456 0.79 ALDH1A1 (0.85) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL381922 0.79 ALDH1A1 (0.85) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL3948461 0.79 ALDH1A1 (0.85) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL20064375 0.78 ALDH1A1 (0.58) ALDH1A1GAATSHRDPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885GAA 568/4885TSHR 3838/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885GAA 568/4885TSHR 3838/4885

“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.