SCHEMBL22751693

SCHEMBL22751693

CCOC(=O)c1nc2c(o1)CC1(CCOCC1)CC2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE4D Q08499 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL23782815 0.73 SMN1; SMN2 (0.41) ALDH1A1CYP2C9CYP2C19CYP3A4KDM4E
SCHEMBL16931468 0.71 MAOB (0.38) TSHRALDH1A1CYP2C9CYP2C19L3MBTL1
SCHEMBL23530530 0.66 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL23530462 0.64 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4ENPSR1POLB
SCHEMBL23530703 0.62 ALDH1A1 (0.38) ALDH1A1CYP2C9CYP2C19CYP3A4KDM4E
SCHEMBL21831943 0.61 PDE4D (0.32) ALOX15TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL22751695 0.61 CYP11B2 (0.39) PIK3CA
SCHEMBL2358076 0.61 HSD17B10 (0.44) ALOX15TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL2616845 0.60 TARBP2 (0.43) TSHRALDH1A1L3MBTL1KDM4ENPSR1
SCHEMBL23530584 0.60 SMN1; SMN2 (0.37) ALDH1A1KDM4ENPSR1POLBHPGD

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-3475262-B1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP disclosed
US-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-08 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 (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-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases REN, AGTR1, AGTR2 ALOX15 2064/4885TSHR 2253/4885ALDH1A1 214/4885

“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.