SCHEMBL4375475

SCHEMBL4375475

CC(Nc1ncc(CCc2c[nH]c3ccccc23)c(N)n1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HTR2A P28223 6/20 0.43
HTR1A P08908 5/20 0.43
HTR7 P34969 5/20 0.43
HTR6 P50406 5/20 0.43
DRD2 P14416 3/20 0.43
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR2C P28335 2/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1E P28566 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4381624 0.82 KMT2A (0.50) KMT2AMEN1HTR2AHTR1AKDM4E
SCHEMBL7013050 0.82 HTR7 (0.53) HTR7HDAC3HDAC1HDAC2HDAC6
SCHEMBL6169123 0.82 KMT2A (0.52) KMT2AMEN1HTR2AHTR1AHTR7
SCHEMBL6166811 0.82 KMT2A (0.52) KMT2AMEN1HTR2AHTR1AHTR7
SCHEMBL7151479 0.78 HTR2A (0.43) KMT2AMEN1HTR2AHTR1AHTR7
SCHEMBL7169463 0.77 HTR7 (0.66) KMT2AMEN1HTR2AHTR1AHTR7
SCHEMBL7009242 0.77 HTR7 (0.46) HTR7HTR6HTR2CHDAC3HDAC1
SCHEMBL7014743 0.77 HTR7 (0.53) KMT2AMEN1HTR7HTR6HTR2C
SCHEMBL7098780 0.77 PLK1 (0.42) KMT2AMEN1HTR7TAAR1HDAC3
SCHEMBL7010237 0.77 HTR7 (0.57) HTR7HTR2C

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 KMT2A 2361/4885MEN1 3987/4885HTR2A 7/4885

“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.