SCHEMBL6729982

SCHEMBL6729982

CC(C)N(C(=O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2)C1=C(C#N)C#N)c1cccc(CN2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.40
RAPGEF3 O95398 2/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGER1 P34995 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL6737153 0.91 HRH3 (0.40) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6733896 0.86 HRH3 (0.59) HRH3CYP2D6CYP2C9HIF1A
SCHEMBL6740296 0.86 HRH3 (0.44) HRH3CYP2D6CYP2C9HIF1APTGER1
SCHEMBL6732800 0.85 HDAC3 (0.37) HRH3KDM4E
SCHEMBL6732976 0.85 HRH3 (0.41) HRH3CYP2D6CYP2C9HIF1APTGER1
SCHEMBL6839627 0.83 LMNA (0.37) HRH3PTGER1KDM4E
SCHEMBL6739873 0.82 HRH3 (0.35) HRH3KDM4E
SCHEMBL6734242 0.82 CYP2D6 (0.39) HRH3CYP2D6CYP2C9HIF1A
SCHEMBL6737938 0.81 HRH3 (0.35) HRH3KDM4E
SCHEMBL6734999 0.81 CYP2D6 (0.42) HRH3CYP2D6CYP2C9HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885RAPGEF3 2984/4885CYP2D6 685/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885RAPGEF3 2984/4885CYP2D6 685/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885RAPGEF3 2984/4885CYP2D6 685/4885

“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.