SCHEMBL10025514

SCHEMBL10025514

CC(C)(C)OCCCN1CC[C@@H](N)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.49
HRH1 P35367 4/20 0.49
HRH3 Q9Y5N1 7/20 0.46
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
LTA4H P09960 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
MAOB P27338 2/20 0.33
KCNH2 Q12809 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL10025525 1.00 HRH2 (0.49) HRH2HRH1HRH3GNAI3GNAO1
SCHEMBL10025517 0.90 GNAI3 (0.51) HRH2HRH1HRH3GNAI3GNAO1
SCHEMBL21743256 0.85 HRH3 (0.43) HRH2HRH1HRH3MAOB
SCHEMBL19709043 0.85 HRH3 (0.43) HRH2HRH1HRH3MAOB
SCHEMBL19709379 0.85 HRH3 (0.43) HRH2HRH1HRH3MAOB
SCHEMBL19700572 0.81 HRH3 (0.45) HRH2HRH1HRH3MAOBSIGMAR1
SCHEMBL19700573 0.81 HRH3 (0.45) HRH2HRH1HRH3MAOBSIGMAR1
SCHEMBL19700578 0.81 HRH3 (0.45) HRH2HRH1HRH3MAOBSIGMAR1
SCHEMBL3249860 0.81 HRH2 (0.52) HRH2HRH1HRH3GNAI3GNAO1
SCHEMBL13543169 0.81 HRH2 (0.52) HRH2HRH1HRH3GNAI3GNAO1

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 4 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

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 HRH2 756/4885HRH1 716/4885HRH3 1057/4885

“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.