SCHEMBL14533693

SCHEMBL14533693

Clc1cccc(C2=CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.57
SERPINE1 P05121 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
ACMSD Q8TDX5 2/20 0.42
ALOX5 P09917 1/20 0.40
IDO1 P14902 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
SLC6A3 Q01959 3/20 0.39
HSD11B1 P28845 1/20 0.38
GALR1 P47211 1/20 0.38
SLC6A2 P23975 1/20 0.38
ESR2 Q92731 1/20 0.37

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
SCHEMBL27173374 0.94 HTR2C (0.56) HTR2CSERPINE1CHRNB4CHRNA3ACMSD
SCHEMBL31632210 0.94 HTR2C (0.56) HTR2CSERPINE1CHRNB4CHRNA3ACMSD
SCHEMBL9377713 0.86 HTR2C (0.62) HTR2CCHRNB4CHRNA3ALOX5IDO1
SCHEMBL14705031 0.79 HTR2C (0.73) HTR2CIDO1
SCHEMBL28603570 0.78 HTR2C (0.54) HTR2CCHRNB4CHRNA3ALOX5IDO1
SCHEMBL14704909 0.78 HTR2C (0.82) HTR2CCHRNB4CHRNA3
SCHEMBL511919 0.77 SIGMAR1 (0.50) HTR2CSERPINE1ACMSD
SCHEMBL968176 0.77 CHRNB4 (0.46) SERPINE1CHRNB4CHRNA3ACMSDIDO1
SCHEMBL6182740 0.77 ACMSD (0.42) HTR2CSERPINE1ACMSD
SCHEMBL18905493 0.77 ACMSD (0.42) HTR2CSERPINE1ACMSD

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-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A HTR2C 1079/4885SERPINE1 961/4885CHRNB4 100/4885

“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.