SCHEMBL13063374

SCHEMBL13063374

O=Nc1ccc2c(c1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
ALDH1A1 P00352 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RAB9A P51151 5/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL22682041 0.95 ADRA2A (0.57) ADRA2AADRA2BADRA2CALDH1A1CA12
SCHEMBL12677318 0.83 ADRA2A (0.40) ADRA2AADRA2BADRA2CALDH1A1RAB9A
SCHEMBL12677327 0.78 DRD2 (0.43) ADRA2AADRA2BADRA2CALDH1A1HSD17B10
SCHEMBL14404571 0.77 ADRA2A (0.52) ADRA2AADRA2BADRA2CALDH1A1CA12
SCHEMBL672098 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CALDH1A1CA12
SCHEMBL30632049 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CALDH1A1CA12
SCHEMBL14515903 0.75 CYP2A6 (0.50) ADRA2AADRA2BADRA2CALDH1A1RAB9A
SCHEMBL13114089 0.74 MAPT (0.35) ADRA2AADRA2BADRA2CALDH1A1RAB9A
SCHEMBL11662508 0.74 MAPT (0.56) ALDH1A1CA12CA1CA2HSD17B10
SCHEMBL3783508 0.74 ADRA2A (0.44) ADRA2AADRA2BADRA2CALDH1A1CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141690-A2 INDANE ANALOGS AND USE AS PHARMACEUTICAL AGENTS AND PROCESS OF MAKING DARA BIOSCIENCES, INC. (US) 2010-12-09 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 ADRA2A 270/4885ADRA2B 200/4885ADRA2C 306/4885

“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.