SCHEMBL21831983

SCHEMBL21831983

CN1C(=O)CCc2cc(I)cnc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.49
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
CYP11B1 P15538 9/20 0.37
CYP19A1 P11511 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP17A1 P05093 1/20 0.37
SRD5A1 P18405 6/20 0.34
CYP3A4 P08684 2/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL46315 0.81 CYP11B2 (0.50) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30404193 0.80 BMPR1B (0.50) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2051397 0.80 BMPR1B (0.50) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL31178367 0.80 CYP11B2 (0.49) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL25921027 0.80 CYP11B2 (0.49) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL25317019 0.80 CYP11B2 (0.49) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL9836345 0.78 CYP11B2 (0.47) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL25921079 0.73 CYP11B2 (0.44) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL7404024 0.73 CYP11B2 (0.44) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30507184 0.72 CYP11B2 (0.43) CYP11B2BMPR1BBMPR1AACVRL1ACVR1

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
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
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
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
US-20200109131-A1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASES, CARDIOVASCULAR DISEASES AND FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-09 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-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases REN, AGTR1, AGTR2 CYP11B2 61/4885BMPR1B 260/4885BMPR1A 281/4885
US-20200109131-A1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASES, CARDIOVASCULAR DISEASES AND FIBROTIC DISEASES REN, AGTR1, AGTR2 CYP11B2 61/4885BMPR1B 260/4885BMPR1A 281/4885

“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.