SCHEMBL4841544

SCHEMBL4841544

CCN(O)C(=O)CCCN(c1nc2cc(Cl)ccc2[nH]1)c1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KMT2A Q03164 2/20 0.33
PTGS2 P35354 1/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
GSK3B P49841 1/20 0.31
TSHR P16473 1/20 0.31
MAP2 P11137 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH1 P35367 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL4841532 0.86 BACE1 (0.35) HRH4HRH3KMT2APTGS2MEN1
SCHEMBL4841860 0.85 HRH4 (0.32) HRH4HRH3PTGS2GSK3B
SCHEMBL4841867 0.85 ABL1 (0.34) HRH4HRH3KMT2AGSK3B
SCHEMBL4839125 0.84 LMNA (0.40) HRH4HRH3KMT2AMEN1TSHR
SCHEMBL4148485 0.82 HRH4 (0.41) HRH4HRH3PTGS2GSK3BTSHR
SCHEMBL4848519 0.81 TAAR1 (0.32) HRH4HRH3
SCHEMBL4844540 0.81 KMT2A (0.40) KMT2ARAB9AMEN1ATMGSK3B
SCHEMBL2995800 0.78 HRH4 (0.33) HRH4HRH3KMT2APTGS2MEN1
SCHEMBL6226694 0.73 HRH4 (0.37) HRH4HRH3
SCHEMBL2993036 0.72 HRH4 (0.34) HRH4HRH3KMT2APTGS2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 HRH4 1414/4885HRH3 963/4885KMT2A 4720/4885

“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.