SCHEMBL5360860

SCHEMBL5360860

COC(=O)CC(C)N(C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B P18089 1/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAOB P27338 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ HPGD P15428 1/20 0.45

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
SCHEMBL25663392 0.86 MEN1 (0.49) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL6321619 0.86 MEN1 (0.49) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL6321614 0.86 MEN1 (0.49) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL30537650 0.85 TDP1 (0.49) MEN1KMT2AMAOBALDH1A1
SCHEMBL31170298 0.85 ADRA2B (0.53) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL28622033 0.82 ABCB1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL28627165 0.82 ABCB1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL28622030 0.82 ABCB1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL21385432 0.80 TDP1 (0.47) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL21385383 0.80 TDP1 (0.47) ADRA2BADRA2CSLC6A2HTR2AADRA1A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410250-C Novel spiroheterocyclic compoundsus reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMA (US) 2008-08-13 — — CN disclosed
US-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 — — US disclosed
US-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 — — US disclosed
US-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 — — US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 — — US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 — — US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 — — US disclosed
US-7056915-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-06-06 — — US disclosed
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 — — EP disclosed
US-6982272-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 — — US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 — — US disclosed
CN-1384830-A Novel spiroheterocyclic compounds as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMA (US) 2002-12-11 — — CN disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 — — US disclosed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 — — EP disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 — — US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 — — EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 — — US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 — — US disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 — — WO disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 — — 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 (3 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ADRA2B 3670/4885ADRA2C 4593/4885SLC6A2 4773/4885
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 ADRA2B 4497/4885ADRA2C 4702/4885SLC6A2 4691/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 ADRA2B 4497/4885ADRA2C 4702/4885SLC6A2 4691/4885

“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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