SCHEMBL4382777

SCHEMBL4382777

C[C@H](Nc1nc(N)nc(NCCc2cccc(O)c2)n1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 18/20 0.70
ADRA1D P25100 3/20 0.60
ADRA1A P35348 3/20 0.60
ADRA1B P35368 3/20 0.60
HTR2C P28335 3/20 0.60
HTR6 P50406 2/20 0.60
ESR2 Q92731 1/20 0.52
CDK9 P50750 1/20 0.46

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
SCHEMBL4376638 0.90 HTR7 (0.86) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4374781 0.88 HTR7 (0.69) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4375469 0.88 HTR7 (0.78) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4376532 0.88 HTR7 (0.69) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4375490 0.86 HTR7 (0.69) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4381237 0.85 HTR7 (0.67) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4375476 0.85 HTR7 (0.65) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4376424 0.83 HTR7 (0.65) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4373125 0.83 HTR7 (0.74) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4375517 0.82 HTR7 (0.91) HTR7ADRA1DADRA1AADRA1BHTR2C

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 6 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-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 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 HTR7 1/4885ADRA1D 153/4885ADRA1A 173/4885

“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.