SCHEMBL10059156

SCHEMBL10059156

CCOCCCN1CC[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.48
HRH2 P25021 4/20 0.48
HRH1 P35367 4/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 1/20 0.48
HTR1A P08908 1/20 0.46
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 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
SCHEMBL10059171 1.00 HRH3 (0.48) HRH3HRH2HRH1CYP2D6CYP2C19
SCHEMBL22890917 0.90 HTR1A (0.57) HRH3HRH2HRH1CYP2D6CYP2C19
SCHEMBL22861390 0.90 HTR1A (0.57) HRH3HRH2HRH1CYP2D6CYP2C19
SCHEMBL21000416 0.90 HTR1A (0.57) HRH3HRH2HRH1CYP2D6CYP2C19
SCHEMBL21738355 0.89 HRH3 (0.46) HRH3HRH2HRH1CYP2D6CYP2C19
SCHEMBL21000316 0.87 GLB1 (0.42) HRH3HRH2HRH1CYP2D6CYP2C19
SCHEMBL12717290 0.84 HRH3 (0.49) HRH3HRH2HRH1HTR1APDCD1
SCHEMBL9921265 0.84 HRH3 (0.49) HRH3HRH2HRH1HTR1APDCD1
SCHEMBL13552419 0.84 HRH3 (0.49) HRH3HRH2HRH1HTR1APDCD1
SCHEMBL22281941 0.83 CYP2D6 (0.48) HRH3HRH2HRH1CYP2D6CYP2C19

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

“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.