SCHEMBL4841867

SCHEMBL4841867

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 1/20 0.32
TERT O14746 1/20 0.32
FERMT2 Q96AC1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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 0.88 BACE1 (0.35) HRH4HRH3KMT2AGSK3BPOLB
SCHEMBL4841860 0.87 HRH4 (0.32) HRH4HRH3GSK3BPOLBHPGD
SCHEMBL4841544 0.85 HRH4 (0.35) HRH4HRH3KMT2AGSK3B
SCHEMBL2994915 0.82 CNR1 (0.35) ABL1RIN1HRH4CYP2C9CYP2C19
SCHEMBL4148485 0.82 HRH4 (0.41) HRH4HRH3GSK3BTP53HPGD
SCHEMBL4839125 0.80 LMNA (0.40) HRH4HRH3KMT2AMAPTTP53
SCHEMBL4848519 0.79 TAAR1 (0.32) HRH4HRH3
SCHEMBL2994428 0.77 CNR1 (0.35) HRH4HRH3APP
SCHEMBL4844540 0.77 KMT2A (0.40) KMT2AGSK3BALDH1A1
SCHEMBL4841881 0.77 HRH4 (0.35) HRH4HRH3MAPTTERTFERMT2

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 ABL1 1762/4885RIN1 1662/4885HRH4 1414/4885

“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.