SCHEMBL4375495

SCHEMBL4375495

CC(c1ccc(Cl)cc1)c1cnc(NCCc2ccccc2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
HTR7 P34969 5/20 0.46
MYLK Q15746 1/20 0.44
ADORA1 P30542 5/20 0.43
ADORA2A P29274 4/20 0.43
ADORA2B P29275 4/20 0.43
TMIGD3 P0DMS9 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
CDK9 P50750 1/20 0.42
ACKR3 P25106 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL4373099 0.92 HTR7 (0.53) APPHTR7ADORA1ADORA2AADORA2B
SCHEMBL4372829 0.89 HTR7 (0.58) APPHTR7ADORA1ADORA2AADORA2B
SCHEMBL4377382 0.85 HTR7 (0.56) APPHTR7ADORA1ADORA2AADORA2B
SCHEMBL4373322 0.84 HTR7 (0.50) HTR7
SCHEMBL4377313 0.83 HTR7 (0.47) APPHTR7ADORA1ADORA2AADORA2B
SCHEMBL4376850 0.80 APP (0.52) APPHTR7ADORA1ADORA2AADORA2B
SCHEMBL4377737 0.79 APP (0.47) APPHTR7ADORA1ADORA2AADORA2B
SCHEMBL4380401 0.78 HTR7 (0.50) APPHTR7ADORA1ADORA2A
SCHEMBL4376041 0.78 APP (0.49) APPMYLKADORA1ADORA2AADORA2B
SCHEMBL4374779 0.76 ADORA2A (0.50) HTR7ADORA1ADORA2AADORA2BADORA3

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 11 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
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 APP 2310/4885HTR7 1/4885MYLK 3930/4885

“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.