SCHEMBL7484195

SCHEMBL7484195

COc1ccccc1CN1CCCC1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.68
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7209206 0.91 ACHE (0.60) ACHEMEN1KMT2ARAB9A
SCHEMBL8373325 0.81 MTNR1A (0.52) ACHEMEN1KMT2ARAB9A
SCHEMBL22993631 0.80 ACHE (0.48) ACHEADRA1DADRA1AKMT2AL3MBTL1
SCHEMBL17184827 0.80 KDM4E (0.50) ACHEADRA1DADRA1AKMT2A
SCHEMBL4513254 0.80 KMT2A (0.64) ACHEADRA1DADRA1AMEN1KMT2A
SCHEMBL5103775 0.78 HDAC6 (0.52) ACHEKMT2A
SCHEMBL17184637 0.77 ACHE (0.48) ACHEADRA1DADRA1AKMT2A
SCHEMBL5584847 0.77 ALDH1A1 (0.47) ACHEADRA1DADRA1AMEN1KMT2A
SCHEMBL5584845 0.77 ALDH1A1 (0.47) ACHEADRA1DADRA1AMEN1KMT2A
SCHEMBL14458691 0.76 L3MBTL1 (0.53) ACHEKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242471-A1 THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230242471-A1 THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2023-08-03 US disclosed
WO-2021257851-A1 THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed
EP-0874843-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
CN-1080262-C Novel substituted 4-(1H-benzimidazol-2-YL) [1,4] diazepanes useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 2002-03-06 CN disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 US disclosed
US-6194406-B1 HISTAMINE RECEPTOR ANTAGONISTS; TACHYKININ RECEPTOR ANTAGONISTS; ASTHMA; BRONCHITIS; INFLAMMATORY BOWEL DISEASES, INCLUDING CROHN'S DISEASE AND ULCERATIVE COLITIS; SEASONAL RHINITIS; SINUSITIS; ANTIALLERGENS; EMETIC AGENTS AVENTIS PHARMACEUTICALS INC. 2001-02-27 US disclosed
CN-1207097-A Novel substituted 4- (1H-benzimidazol-2-yl) [1,4] diazepanes useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-02-03 CN disclosed
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 ACHE 3267/4885ADRA1D 18/4885ADRA1A 79/4885
US-20230242471-A1 THYROMIMETICS TPO, THOP1, THRB ACHE 50/4885ADRA1D 260/4885ADRA1A 274/4885

“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.