SCHEMBL2661709

SCHEMBL2661709

CCN1CCCN(c2cccc(Nc3ccc(C(=O)OC)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
HPGD P15428 2/20 0.48
AKR1C4 P17516 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 2/20 0.45
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
HTR7 P34969 1/20 0.43
HCAR3 P49019 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
SCHEMBL2662508 0.92 MAPT (0.46) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL2661798 0.88 MAPT (0.48) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL2662237 0.86 ALDH1A1 (0.54) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL2661691 0.86 MAPT (0.48) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL2651962 0.85 NPC1 (0.49) MAPTHPGDALDH1A1KDM4EMAPK1
SCHEMBL2649234 0.84 MAPT (0.52) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL5781737 0.81 MAPT (0.49) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL2661874 0.80 MAPT (0.46) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL4702845 0.80 MAPT (0.46) MAPTHPGDAKR1C4AKR1C3AKR1C2
SCHEMBL2665507 0.80 HCAR3 (0.52) MAPTHPGDAKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885HPGD 1452/4885AKR1C4 637/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 981/4885HPGD 1290/4885AKR1C4 702/4885

“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.