SCHEMBL7491503

SCHEMBL7491503

COc1ccccc1CN1CCC(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
USP2 O75604 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.45
HIF1A Q16665 1/20 0.45
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.41
AR P10275 1/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
CCR2 P41597 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP27A1 Q02318 1/20 0.39

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
SCHEMBL6993832 0.84 LMNA (0.48) TSHRUSP2ALDH1A1CYP2D6HSD17B10
SCHEMBL8320454 0.81 USP2 (0.47) TSHRUSP2SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL14177629 0.80 OPRK1 (0.50) USP2SMN1; SMN2CYP2D6HSD17B10MEN1
SCHEMBL6996711 0.76 ACHE (0.46) SMN1; SMN2ACHELMNATACR1MEN1
SCHEMBL8565227 0.75 MEN1 (0.52) USP2SMN1; SMN2CYP2D6HSD17B10ACHE
SCHEMBL8565231 0.75 MEN1 (0.52) USP2SMN1; SMN2CYP2D6HSD17B10ACHE
SCHEMBL4523847 0.74 LMNA (0.48) USP2CYP2D6HSD17B10ACHEBCHE
SCHEMBL14177606 0.73 KCNH2 (0.53) CYP2D6CYP24A1
SCHEMBL4514533 0.71 CYP2D6 (0.47) USP2SMN1; SMN2ALDH1A1CYP2D6HSD17B10
SCHEMBL7001262 0.71 MEN1 (0.57) ACHEBCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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 TSHR 667/4885USP2 1909/4885SMN1; SMN2 4541/4885

“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.