SCHEMBL10058271

SCHEMBL10058271

CCOCCCN1CCC(N2CCCC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.42
KCNH2 Q12809 5/20 0.41
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL12943005 0.85 CYP2D6 (0.44) LTA4HKCNH2CYP2D6ALDH1A1CYP2C9
SCHEMBL13541808 0.84 LTA4H (0.41) LTA4HKCNH2CYP2C19CYP3A4TSHR
SCHEMBL10025503 0.84 LTA4H (0.42) LTA4HKCNH2HRH3MAOAMAOB
SCHEMBL10025516 0.83 LTA4H (0.44) LTA4HKCNH2MEN1HRH3MAOA
SCHEMBL12943133 0.82 DRD2 (0.43) LTA4HKCNH2
SCHEMBL12842023 0.79 OPRL1 (0.41) LTA4HKCNH2
SCHEMBL296525 0.75 L3MBTL1 (0.43) LTA4HKCNH2MEN1KMT2A
SCHEMBL1161004 0.74 LTA4H (0.44) LTA4HKCNH2KMT2ACYP2D6
SCHEMBL8114517 0.74 HRH3 (0.46) KCNH2CYP2C19MEN1KMT2ACYP2D6
SCHEMBL6941588 0.74 HRH3 (0.46) KCNH2CYP2C19MEN1KMT2ACYP2D6

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-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L LTA4H 1712/4885KCNH2 2366/4885CYP2C19 1023/4885

“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.