SCHEMBL4009723

SCHEMBL4009723

COc1ccc(CCl)c(CCCl)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
MTNR1A P48039 10/20 0.32
MTNR1B P49286 10/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NNMT P40261 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL4011450 0.82 CLK1 (0.37) PDE10A
SCHEMBL4243866 0.82 ALDH1A1 (0.34) ALDH1A1GFERPOLBTDP1KMT2A
SCHEMBL4009619 0.79 MTNR1A (0.37) ALDH1A1MTNR1AMTNR1BPOLBTDP1
SCHEMBL25179865 0.76 ALDH1A1 (0.47) ALDH1A1GFERPOLBTDP1KMT2A
SCHEMBL14032510 0.76 NNMT (0.44) ALDH1A1GFERMTNR1AMTNR1BPOLB
SCHEMBL1848182 0.76 POLB (0.46) ALDH1A1GFERPOLBTDP1KMT2A
SCHEMBL19147472 0.73 POLB (0.36) MTNR1AMTNR1BPOLBTDP1NNMT
SCHEMBL4015307 0.71 PDE4A (0.36) ALDH1A1MTNR1AMTNR1BPOLBTDP1
SCHEMBL7899408 0.69 PDE4A (0.41) ALDH1A1MTNR1AMTNR1BPOLBTDP1
SCHEMBL4206191 0.69 ALDH1A1 (0.33) ALDH1A1GFERPOLBTDP1PDE10A

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 5 patents. 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
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO 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 4212/4885MTNR1A 72/4885

“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.