SCHEMBL4383095

SCHEMBL4383095

COc1cccc(CCc2c(C)nc(N)nc2N[C@@H](C)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.49
TLR8 Q9NR97 6/20 0.49
APP P05067 1/20 0.47
CASR P41180 1/20 0.44
HTR7 P34969 3/20 0.43
DHFR P00374 1/20 0.43
PLK1 P53350 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
EGFR P00533 1/20 0.41
LDHA P00338 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR139 Q6DWJ6 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 0.92 TLR8 (0.46) TLR7TLR8APPHTR7ADRA1D
SCHEMBL4375697 0.89 TLR7 (0.49) TLR7TLR8APPHTR7PLK1
SCHEMBL4373121 0.85 TLR8 (0.48) TLR7TLR8APPHTR7PLK1
SCHEMBL4376521 0.85 TLR8 (0.48) TLR7TLR8APPHTR7EGFR
SCHEMBL4387855 0.84 DHFR (0.46) TLR7TLR8DHFRADRA1AEGFR
SCHEMBL4376798 0.83 ALDH1A1 (0.43) TLR7TLR8APPEGFRLDHA
SCHEMBL4383409 0.83 TLR8 (0.46) TLR7TLR8HTR7DHFRPLK1
SCHEMBL4379483 0.82 DHFR (0.52) APPCASRDHFRPLK1EGFR
SCHEMBL4375604 0.82 TLR8 (0.53) TLR7TLR8APPHTR7ADRA1D
SCHEMBL4374959 0.81 NPC1 (0.45) TLR7TLR8HTR7EGFRLDHA

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
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO 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
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A TLR7 128/4885TLR8 638/4885APP 2310/4885

“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.