SCHEMBL4375697

SCHEMBL4375697

COc1ccc(CCc2c(C)nc(N)nc2N[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.49
TLR8 Q9NR97 4/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
APP P05067 1/20 0.45
HTR7 P34969 3/20 0.43
EGFR P00533 2/20 0.42
IDH1 O75874 1/20 0.42
MEN1 O00255 1/20 0.42
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
PLK1 P53350 1/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 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
SCHEMBL4372273 0.90 TLR8 (0.46) TLR7TLR8ALDH1A1APPHTR7
SCHEMBL4375604 0.89 TLR8 (0.53) TLR7TLR8APPHTR7EGFR
SCHEMBL4383095 0.89 TLR7 (0.49) TLR7TLR8APPHTR7EGFR
SCHEMBL4380761 0.87 TLR8 (0.51) TLR7TLR8APPHTR7EGFR
SCHEMBL4387855 0.85 DHFR (0.46) TLR7TLR8KMT2AEGFRMEN1
SCHEMBL4376798 0.84 ALDH1A1 (0.43) TLR7TLR8ALDH1A1KMT2AAPP
SCHEMBL4375549 0.83 TLR7 (0.52) TLR7TLR8EGFR
SCHEMBL7018081 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AAPPHTR7MEN1
SCHEMBL4372989 0.80 CSF1R (0.48) ALDH1A1KMT2AAPPHTR7EGFR
SCHEMBL4376521 0.80 TLR8 (0.48) TLR7TLR8ALDH1A1APPHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US claimed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
US-6630469-B2 Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, cicadian rhythm disorders and hypertension BRISTOL-MYERS SQUIBB COMPANY 2003-10-07 US disclosed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A TLR7 128/4885TLR8 638/4885ALDH1A1 2221/4885

“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.