SCHEMBL13021101

SCHEMBL13021101

c1cc2c(C3CCNCC3)c[nH]c2cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.62
ADRB2 P07550 1/20 0.62
APP P05067 5/20 0.50
HTR2A P28223 1/20 0.46
GSK3B P49841 3/20 0.45
DYRK1A Q13627 3/20 0.45
NFATC1 O95644 2/20 0.45
HSD11B1 P28845 1/20 0.45
RPS6KA3 P51812 1/20 0.43
HTR1F P30939 1/20 0.40
CCR2 P41597 1/20 0.40
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 1/20 0.40
IKBKE Q14164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 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
SCHEMBL4774187 0.88 HTR2C (0.62) HTR2CADRB2APPRPS6KA3HTR1F
SCHEMBL12315639 0.86 HSD11B1 (0.48) HTR2CADRB2HTR2AGSK3BDYRK1A
Tert-Butyl Formate SCHEMBL27972254 0.85 HTR2C (0.47) HTR2CADRB2APPHTR2AGSK3B
SCHEMBL2467357 0.83 HSD11B1 (0.44) HTR2CADRB2HTR2AGSK3BDYRK1A
SCHEMBL28328566 0.82 HSD11B1 (0.44) HTR2CADRB2HTR2AGSK3BDYRK1A
SCHEMBL28328563 0.80 SLC6A4 (0.45) HTR2CADRB2GSK3BDYRK1ANFATC1
SCHEMBL19972565 0.77 HSD11B1 (0.45) HTR2CADRB2APPHTR2AGSK3B
SCHEMBL373923 0.77 HTR2C (1.00) HTR2CADRB2APPHTR2A
SCHEMBL29502102 0.77 HTR2C (1.00) HTR2CADRB2APPHTR2A
SCHEMBL2468384 0.76 HSD11B1 (0.60) HSD11B1HTR1FCCR2

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
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 EP 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-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 HTR2C 134/4885ADRB2 52/4885APP 4371/4885

“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.