SCHEMBL2224029

SCHEMBL2224029

COC(=O)[C@@H](N)Cc1cncn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.58
ACE P12821 3/20 0.58
CYP11B1 P15538 10/20 0.49
CYP11B2 P19099 10/20 0.49
FNTA P49354 4/20 0.35
FNTB P49356 4/20 0.35
CASR P41180 1/20 0.35
YTHDC1 Q96MU7 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
SCHEMBL2224035 1.00 ACE2 (0.58) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL6504426 0.86 CYP11B1 (0.61) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8297235 0.86 CYP11B1 (0.61) ACE2ACECYP11B1CYP11B2FNTA
Hydrochloric Acid SCHEMBL6504420 0.85 CYP11B1 (0.60) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8258361 0.81 ACE2 (0.78) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL12517973 0.81 ACE2 (0.57) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870455 0.81 ACE2 (0.78) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL12040382 0.78 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869843 0.78 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870265 0.78 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319461-A1 NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE ORE PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319461-A1 NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE ORE PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319461-A1 NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE ORE PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011088075-A2 NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE ORE PHARMACEUTICALS INC. (US) 2011-07-21 WO disclosed
WO-2011088075-A2 NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE ORE PHARMACEUTICALS INC. (US) 2011-07-21 WO disclosed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ACE2 2/4885ACE 1/4885CYP11B1 256/4885
US-20110319461-A1 NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE IPO4, ACMSD, PPIP5K2 ACE2 476/4885ACE 382/4885CYP11B1 903/4885

“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.