SCHEMBL10025517

SCHEMBL10025517

CC(C)(C)OCCCN1CCC(N)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
HRH3 Q9Y5N1 10/20 0.43
HRH2 P25021 4/20 0.43
HRH1 P35367 4/20 0.43
SPHK1 Q9NYA1 1/20 0.39
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 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
SCHEMBL10025525 0.90 HRH2 (0.49) GNAI3GNAO1GNAI1HRH3HRH2
SCHEMBL10025514 0.90 HRH2 (0.49) GNAI3GNAO1GNAI1HRH3HRH2
SCHEMBL10192108 0.84 HRH3 (0.51) HRH3HRH2HRH1MAOBSIGMAR1
SCHEMBL26972452 0.82 HRH3 (0.40) HRH3MAOB
SCHEMBL19709043 0.81 HRH3 (0.43) HRH3HRH2HRH1MAOB
SCHEMBL21743256 0.81 HRH3 (0.43) HRH3HRH2HRH1MAOB
SCHEMBL19709379 0.81 HRH3 (0.43) HRH3HRH2HRH1MAOB
SCHEMBL8116676 0.79 GNAI3 (0.56) GNAI3GNAO1GNAI1HRH3HRH2
SCHEMBL6176615 0.79 GNAI3 (0.56) GNAI3GNAO1GNAI1HRH3HRH2
SCHEMBL21667849 0.79 HRH3 (0.45) HRH3MAOB

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 GNAI3 841/4885GNAO1 903/4885GNAI1 484/4885

“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.