SCHEMBL7801882

SCHEMBL7801882

OCCC1CCN(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
DPP4 P27487 2/20 0.46
MAPT P10636 2/20 0.45
BPTF Q12830 1/20 0.44
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL18155147 0.89 MBTD1 (0.49) NOTUMMAPTMMP3MMP8HRH3
SCHEMBL720691 0.86 NOTUM (0.54) NOTUMDPP4MAPTBPTFHRH3
SCHEMBL14320304 0.83 MAPT (0.41) MAPTBPTFL3MBTL1KDM4EALDH1A1
SCHEMBL12209832 0.82 NOTUM (0.55) NOTUMDPP4MAPTKDM4EALDH1A1
SCHEMBL10177792 0.79 BPTF (0.67) NOTUMDPP4MAPTBPTFHRH3
SCHEMBL4396441 0.79 DPP4 (0.51) NOTUMDPP4MAPTBPTFHRH3
SCHEMBL10178032 0.79 BPTF (0.67) NOTUMDPP4MAPTBPTFHRH3
SCHEMBL14175711 0.79 NOTUM (0.50) NOTUMDPP4MAPTBPTFHRH3
SCHEMBL9967187 0.79 BPTF (0.67) NOTUMDPP4MAPTBPTFHRH3
SCHEMBL31411517 0.79 NOTUM (0.50) NOTUMDPP4MAPTBPTFHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NOTUM 3604/4885DPP4 792/4885MAPT 3666/4885

“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.