SCHEMBL10025516

SCHEMBL10025516

COCCCN1CCC(N2CCCCC2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.44
KCNH2 Q12809 4/20 0.44
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
PARP1 P09874 1/20 0.40
CTSS P25774 1/20 0.39
MEN1 O00255 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL10058271 0.83 LTA4H (0.42) LTA4HKCNH2MEN1HRH3MAOA
SCHEMBL10025503 0.81 LTA4H (0.42) LTA4HKCNH2TACR2TACR1CTSS
SCHEMBL13541808 0.81 LTA4H (0.41) LTA4HKCNH2TACR1CTSSHRH3
SCHEMBL12943005 0.80 CYP2D6 (0.44) LTA4HKCNH2
SCHEMBL1161004 0.77 LTA4H (0.44) LTA4HKCNH2CTSS
SCHEMBL12943133 0.76 DRD2 (0.43) LTA4HKCNH2CTSS
SCHEMBL10025501 0.76 HRH3 (0.55) HRH3MAOAMAOB
SCHEMBL8338221 0.75 DPP4 (0.39) LTA4HKCNH2CTSS
SCHEMBL17001968 0.74 DPP4 (0.39) LTA4HKCNH2CTSSHRH3
SCHEMBL18032441 0.74 CTSS (0.43) LTA4HKCNH2TACR2TACR1CTSS

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 6 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-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
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 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 2366/4885TACR2 4579/4885

“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.