SCHEMBL4206191

SCHEMBL4206191

[CH2]C(C)c1nc(OC)ccc1CCl

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
TXNRD1 Q16881 1/20 0.31
PDE10A Q9Y233 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4206391 0.80 CLK1 (0.37)
SCHEMBL4243866 0.76 ALDH1A1 (0.34) ALDH1A1GFERPOLBTDP1
SCHEMBL8059196 0.74 TXNRD1 (0.34) TXNRD1
SCHEMBL1848182 0.73 POLB (0.46) ALDH1A1GFERPDE10APOLBTDP1
SCHEMBL14032510 0.73 NNMT (0.44) ALDH1A1GFERPDE10APOLBTDP1
SCHEMBL25179865 0.73 ALDH1A1 (0.47) ALDH1A1GFERTXNRD1PDE10APOLB
SCHEMBL15668836 0.72 ALDH1A1 (0.35) ALDH1A1GFERTXNRD1PDE10A
SCHEMBL4009723 0.69 ALDH1A1 (0.34) ALDH1A1GFERPDE10APOLBTDP1
SCHEMBL4215098 0.67 ABCB11 (0.38) ALDH1A1TXNRD1PDE10APOLBTDP1
SCHEMBL19126900 0.66 POLB (0.34) TXNRD1PDE10APOLBTDP1

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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A ALDH1A1 1316/4885GFER 4212/4885TXNRD1 1578/4885

“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.