SCHEMBL2852675

SCHEMBL2852675

NCCCCc1cnc2occc2c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.39
MAOA P21397 2/20 0.38
TLR8 Q9NR97 6/20 0.35
CYP2A6 P11509 1/20 0.33
PTPN11 Q06124 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL2844615 0.79 MEN1 (0.40) PIK3CD
SCHEMBL13548275 0.79 FGFR1 (0.34) TLR8PIK3CD
SCHEMBL10855532 0.75 PARP1 (0.39) CYP2A6PIK3CD
SCHEMBL2846208 0.75 RECQL (0.36) PIK3CD
SCHEMBL9564539 0.72 HTR1B (0.46) HRH1MAOATLR8CYP2A6
SCHEMBL4865405 0.71 MAOA (0.48) HRH1MAOA
SCHEMBL30195937 0.71 MAOA (0.48) HRH1MAOA
SCHEMBL13547873 0.71 PIK3CD (0.33) PIK3CD
SCHEMBL3527310 0.70 MAOA (0.47) HRH1MAOA
SCHEMBL10559790 0.69 HRH3 (0.38)

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-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A HRH1 578/4885MAOA 265/4885TLR8 4855/4885

“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.