SCHEMBL4841881

SCHEMBL4841881

CN(C)CCCNC(=O)C(CCNc1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.35
EGFR P00533 1/20 0.34
CDK1 P06493 3/20 0.33
TERT O14746 2/20 0.33
TP53 P04637 1/20 0.32
FERMT2 Q96AC1 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CNR1 P21554 1/20 0.32
BTK Q06187 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRMT1 Q99873 1/20 0.31

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
SCHEMBL4841553 0.92 CNR1 (0.36) HRH4EGFRCDK1HDAC1HDAC8
SCHEMBL2994915 0.85 CNR1 (0.35) HRH4EGFRCDK1TP53CNR1
SCHEMBL2994428 0.81 CNR1 (0.35) HRH4EGFRCDK1HRH3CNR1
SCHEMBL4848523 0.80 HRH4 (0.32) HRH4CDK1HRH3CNR1KDM4E
SCHEMBL3003553 0.79 HRH4 (0.33) HRH4EGFRCDK1HRH3CNR1
SCHEMBL2995841 0.78 HRH4 (0.40) HRH4EGFRCDK1HRH3CNR1
SCHEMBL2995838 0.78 HRH4 (0.40) HRH4EGFRCDK1HRH3CNR1
SCHEMBL4149650 0.77 HRH4 (0.41) HRH4EGFRCDK1HRH3CNR1
SCHEMBL4841867 0.77 ABL1 (0.34) HRH4TERTTP53FERMT2HRH3
SCHEMBL3000765 0.77 HRH4 (0.35) HRH4EGFRCDK1HRH3CNR1

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 1414/4885EGFR 2301/4885CDK1 351/4885

“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.