SCHEMBL6770796

SCHEMBL6770796

CN(C(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRSS1 P07477 4/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6618857 0.86 MAPT (0.61) HCAR3MAPTSMN1; SMN2HTTMEN1
SCHEMBL6622671 0.83 POLB (0.47) MAPTSMN1; SMN2MEN1KMT2APRSS1
SCHEMBL6620664 0.77 HTT (0.60) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL10383535 0.77 SMN1; SMN2 (0.63) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL11682628 0.77 MEN1 (0.60) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL3278681 0.76 HCAR3 (0.78) HCAR3MAPTPRSS1ALDH1A1
SCHEMBL7973678 0.76 SMN1; SMN2 (0.62) HCAR3MAPTSMN1; SMN2KMT2APRSS1
SCHEMBL6925445 0.76 MEN1 (0.58) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL4459876 0.72 HCAR3 (0.50) HCAR3MAPTSMN1; SMN2HTTKMT2A
SCHEMBL27595536 0.71 ALDH1A1 (0.49) MAPTSMN1; SMN2HTTPRSS1NPC1

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 HCAR3 2279/4885MAPT 3987/4885SMN1; SMN2 3456/4885

“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.