SCHEMBL22751667

SCHEMBL22751667

CC1(C)CC(=O)c2[nH]cnc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
ALPL P05186 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP11B2 P19099 8/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL21831969 0.78 CYP11B2 (0.35) ALDH1A1CYP11B2POLB
SCHEMBL21831945 0.75 CYP11B2 (0.40) CYP11B2
SCHEMBL17456316 0.71 MEN1 (0.34) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL22751694 0.71 CYP11B2 (0.43) CYP11B2
SCHEMBL22751738 0.70 ALPL (0.40) ALDH1A1HTTMEN1MAPK1KMT2A
SCHEMBL22751725 0.69 CYP11B2 (0.39) CYP11B2
SCHEMBL2873901 0.67 TSHR (0.36) ALDH1A1HTTMEN1MAPK1KMT2A
SCHEMBL9076339 0.67 TSHR (0.34) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL4853833 0.67 SRC (0.38) ALDH1A1HTTMEN1MAPK1KMT2A
SCHEMBL2324941 0.64

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 ALDH1A1 214/4885HTT 3942/4885MEN1 2218/4885

“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.