SCHEMBL11886629

SCHEMBL11886629

CC[C@@H]1CN(C)C(=O)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.42
▸ ADORA3 P0DMS8 9/20 0.37
▸ ADORA2A P29274 6/20 0.37
▸ ADORA2B P29275 6/20 0.37
▸ ADORA1 P30542 6/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 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
SCHEMBL84129 0.82 — —
SCHEMBL24391215 0.72 ALOX5 (0.38) ALOX5ALDH1A1HTR2A
SCHEMBL22702324 0.72 ALOX5 (0.38) ALOX5ALDH1A1HTR2A
SCHEMBL11886637 0.69 BRD4 (0.35) MAPTBRD4
SCHEMBL11886628 0.69 BRD4 (0.35) MAPTBRD4
SCHEMBL22560049 0.67 — —
SCHEMBL18196372 0.66 BRD4 (0.35) ALOX5BRD4CREBBP
SCHEMBL28245587 0.65 ALOX5 (0.37) ALOX5ADORA3ADORA2AADORA2BADORA1
SCHEMBL11886634 0.65 BRD4 (0.35) ALOX5BRD4
SCHEMBL21669887 0.64 ALOX5 (0.42) ALOX5MAPTBRD4CREBBP

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
EP-3983402-B1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2023-08-16 — — EP disclosed
US-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-07-26 — — 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 (1 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-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS CYP3A5, GDI2, HDAC5 ALOX5 879/4885ADORA3 2566/4885ADORA2A 2790/4885

“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.

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