Sugi Predict

Sugi Predict / Compounds / SCHEMBL4698741

SCHEMBL4698741

SCHEMBL4698741

CN1CCN(c2nc(-c3cccc(-c4cccc(N5CCCCC5C(=O)NCC#N)c4)c3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 13/20 0.58
▸ CTSS P25774 13/20 0.58
▸ CTSK P43235 11/20 0.58
▸ CTSL P07711 8/20 0.58
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ PRKD1 Q15139 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ERG P11308 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4703916 0.96 CTSB (0.54) CTSBCTSSCTSKCTSLALDH1A1
SCHEMBL4699989 0.96 CTSB (0.56) CTSBCTSSCTSKCTSLALDH1A1
SCHEMBL4704259 0.90 CTSB (0.56) CTSBCTSSCTSKCTSLALDH1A1
SCHEMBL4699074 0.89 CTSB (0.46) CTSBCTSSCTSKCTSLALDH1A1
SCHEMBL4701895 0.79 CTSK (0.53) CTSBCTSSCTSKCTSL
SCHEMBL4701696 0.77 CTSK (0.46) CTSBCTSSCTSKCTSL
SCHEMBL4701537 0.76 CTSK (0.49) CTSBCTSSCTSKCTSL
SCHEMBL4701545 0.76 CTSK (0.49) CTSBCTSSCTSKCTSL
SCHEMBL4701147 0.75 CTSK (0.48) CTSBCTSSCTSKCTSL
SCHEMBL4700127 0.74 CTSK (0.54) CTSBCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 — — EP claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 — — US claimed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 — — EP claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 — — US claimed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 — — EP claimed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 — — WO claimed
EP-1147115-B3 TRICYCLIC BENZODIAZEPINES AS VASOPRESSIN RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2008-12-24 — — EP disclosed
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 — — EP disclosed
US-7317005-B2 Tricyclic benzodiazepines as vasopressin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 — — US disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 — — US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 — — EP disclosed
US-20040242866-A1 Tricyclic benzodiazepines as vasopressin receptor antagonists HOEKSTRA WILLIAM J (US) 2004-12-02 — — US disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 — — US disclosed
US-6713475-B2 TRICYCLIC BENZODIAZEPINES (CYCLIC OLIGOPEPTIDES), USEFUL FOR TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, LIVER CIRRHOSIS, RENAL FAILURE, STROKE OR THROMBOSIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-30 — — US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 — — EP disclosed
EP-1147115-B1 TRICYCLIC BENZODIAZEPINES AS VASOPRESSIN RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2003-09-10 — — EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 — — WO disclosed
US-20020103373-A1 Tricyclic benzodiazepines as vasopressin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-01 — — US disclosed
EP-1147115-A2 TRICYCLIC BENZODIAZEPINES AS VASOPRESSIN RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-10-24 — — EP disclosed
WO-2000043398-A2 TRICYCLIC BENZODIAZEPINES AS VASOPRESSIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-07-27 — — 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-20040242866-A1 Tricyclic benzodiazepines as vasopressin receptor antagonists AVPR2, AVPR1B, AVPR1A CTSB 1483/4885CTSS 1582/4885CTSK 1896/4885
US-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSB 1/4885CTSS 2/4885CTSK 4/4885
US-20020103373-A1 Tricyclic benzodiazepines as vasopressin receptor antagonists AVPR2, AVPR1B, AVPR1A CTSB 1483/4885CTSS 1582/4885CTSK 1896/4885

“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.