SCHEMBL12874693

SCHEMBL12874693

Cc1ccc2c(C3CCNCC3)c[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.56
HTR2C P28335 5/20 0.49
ADRB2 P07550 1/20 0.49
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
HTR1F P30939 2/20 0.42
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41

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
SCHEMBL13021135 0.82 APP (0.64) APPHTR2CADRB2HTR1F
SCHEMBL12132005 0.82 APP (0.56) APPHTR2CADRB2HTR1F
SCHEMBL12874707 0.82 APP (0.56) APPHTR2CADRB2HTR1F
SCHEMBL12874810 0.82 APP (0.56) APPHTR2CADRB2CAMKK2HTR1F
SCHEMBL12874689 0.82 APP (0.56) APPHTR2CADRB2HTR1F
SCHEMBL12889637 0.81 APP (0.53) APPHTR2CADRB2HTR1F
SCHEMBL12874786 0.78 APP (0.50) APPHTR2CADRB2HTR1FADORA2A
SCHEMBL12874710 0.77 APP (0.52) APPHTR2CADRB2
SCHEMBL26775960 0.77 APP (0.41) APPPDK2PDK4CAMKK2ADORA2A
SCHEMBL26775940 0.77 APP (0.41) APPPDK2PDK4CAMKK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 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-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 APP 4427/4885HTR2C 142/4885ADRB2 37/4885

“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.