SCHEMBL4372846

SCHEMBL4372846

C[C@@H](c1ccc(Br)cc1)c1cnc(NCCOc2ccccc2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.50
ADRA1D P25100 4/20 0.50
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
ALDH1A1 P00352 1/20 0.43
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
HTR2C P28335 1/20 0.37
CASR P41180 1/20 0.36

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
SCHEMBL4382836 0.90 HTR7 (0.51) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4376134 0.90 HTR7 (0.51) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4373322 0.89 HTR7 (0.50) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4375847 0.80 HTR7 (0.49) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4373099 0.76 HTR7 (0.53) HTR7HTR2C
SCHEMBL4373019 0.75 HTR7 (0.49) HTR7ADRA1DADRA1AADRA1B
SCHEMBL4385405 0.74 HTR7 (0.85) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4377382 0.74 HTR7 (0.56) HTR7
SCHEMBL4375495 0.73 APP (0.46) HTR7
SCHEMBL4372829 0.73 HTR7 (0.58) 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 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 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.