SCHEMBL4841860

SCHEMBL4841860

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BACE1 P56817 1/20 0.32
GSK3B P49841 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
PTGS2 P35354 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 0.91 BACE1 (0.35) HRH4HRH3BACE1GSK3BPOLB
SCHEMBL4841867 0.87 ABL1 (0.34) HRH4HRH3GSK3BPOLBHPGD
SCHEMBL4841544 0.85 HRH4 (0.35) HRH4HRH3GSK3BPTGS2
SCHEMBL2994912 0.81 ALDH1A1 (0.34) HRH4HRH3
SCHEMBL4148485 0.81 HRH4 (0.41) HRH4HRH3GSK3BHPGDPTGS2
SCHEMBL4839125 0.79 LMNA (0.40) HRH4HRH3
SCHEMBL4848519 0.79 TAAR1 (0.32) HRH4HRH3
SCHEMBL4844540 0.76 KMT2A (0.40) GSK3B
SCHEMBL2994427 0.73 ALDH1A1 (0.35) HRH4HRH3BACE1GSK3B
SCHEMBL2994428 0.71 CNR1 (0.35) HRH4HRH3

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 963/4885BACE1 203/4885

“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.