SCHEMBL6778057

SCHEMBL6778057

CCOC(=O)CCCn1c(N)nc2cc(C(=O)N(C)C3CCCCC3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.64
ITK Q08881 17/20 0.60
CNR2 P34972 1/20 0.53

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
SCHEMBL6635249 0.86 ITK (0.64) BACE1ITKCNR2
SCHEMBL6766640 0.81 ITK (0.92) ITK
SCHEMBL6619252 0.73 PTGER4 (0.48) ITKCNR2
SCHEMBL3791176 0.71 ITK (0.47) BACE1ITKCNR2
SCHEMBL6620130 0.71 ITK (0.42) ITKCNR2
SCHEMBL6770253 0.71 ITK (1.00) ITK
SCHEMBL22382317 0.70 PTGER4 (0.61) CNR2
SCHEMBL14708814 0.70 ITK (0.58) ITK
Hydrochloric Acid SCHEMBL8031513 0.70 ITK (0.51) ITKCNR2
SCHEMBL6771407 0.69 ITK (0.88) ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825219-B2 NITROGEN COMPOUNDS SUCH AS 4-((5-(CYCLOHEXYL-METHYL-CARBAMOYL) -2(THIOPHENE-2-CARBONYL)-AMINO)BENZIMIDAZOL-1-YL)-BUTYRIC ACID ADMINISTERED FOR THE PROPHYLAXIS OF INFLAMMATORY, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
US-20030144281-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-31 US 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-20030144281-A1 Substituted benzimidazole compounds HRH2, HRH4, HRH1 BACE1 1541/4885ITK 1721/4885CNR2 806/4885

“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.