SCHEMBL4372887

SCHEMBL4372887

CC[C@@H](Nc1nc(N)ncc1CCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.39
EGFR P00533 2/20 0.39
CRHR1 P34998 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
EPHX2 P34913 2/20 0.38
HTR7 P34969 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
SCHEMBL4374877 1.00 RPS6KB1 (0.39) RPS6KB1EGFRCRHR1TLR8TLR7
SCHEMBL4373030 0.85 HTR7 (0.49) EGFRHTR7
SCHEMBL4381302 0.85 HTR7 (0.42) CRHR1HTR7
SCHEMBL4380387 0.85 HTR7 (0.42) CRHR1HTR7
SCHEMBL7013659 0.81 HDAC4 (0.42) EPHX2HTR7
SCHEMBL4374821 0.79 HTR7 (0.43) HTR7
SCHEMBL4375552 0.78 HTR7 (0.50) EGFRHTR7
SCHEMBL4376714 0.78 EGFR (0.43) EGFRHTR7
SCHEMBL4374843 0.78 HTR7 (0.42) EGFRHTR7
SCHEMBL4382847 0.78 EGFR (0.46) EGFRHTR7

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
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
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 RPS6KB1 1835/4885EGFR 2920/4885CRHR1 42/4885

“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.