SCHEMBL4376196

SCHEMBL4376196

C[C@H](Nc1nc(N)nc(NCCc2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.64
HTR2C P28335 3/20 0.64
ADRA1D P25100 3/20 0.64
ADRA1A P35348 3/20 0.64
ADRA1B P35368 3/20 0.64
HTR6 P50406 2/20 0.64
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41
KMT2A Q03164 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
SCHEMBL4375562 0.92 HTR7 (0.66) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4377208 0.91 HTR7 (0.65) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4373006 0.90 HTR7 (0.64) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4375018 0.90 HTR7 (0.80) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4374893 0.90 HTR7 (0.64) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4374772 0.85 HTR7 (0.71) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4376352 0.84 HTR7 (0.89) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4380266 0.83 HTR7 (0.56) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4375611 0.82 HTR7 (0.53) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL4375563 0.81 HTR7 (0.55) HTR7HTR2CADRA1DADRA1AADRA1B

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 1/4885HTR2C 4/4885ADRA1D 153/4885

“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.