SCHEMBL6733733

SCHEMBL6733733

CCCN(C(=O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2)C1=C(C#N)C#N)c1cc(CN2CCCCC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.39
HRH3 Q9Y5N1 11/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MCHR1 Q99705 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
SCHEMBL6734631 0.93 RAPGEF3 (0.38) RAPGEF3HRH3SMN1; SMN2MCHR1
SCHEMBL6805174 0.86 HRH3 (0.40) RAPGEF3HRH3MCHR1
SCHEMBL6840959 0.82 HRH3 (0.40) HRH3SIGMAR1
SCHEMBL6737935 0.79 RAPGEF3 (0.44) RAPGEF3HRH3SMN1; SMN2POLBMCHR1
SCHEMBL6735891 0.79 HRH3 (0.42) HRH3SIGMAR1
SCHEMBL6729982 0.77 HRH3 (0.40) RAPGEF3HRH3MCHR1
SCHEMBL7659514 0.77 RAPGEF3 (0.46) RAPGEF3HRH3MCHR1
SCHEMBL7660195 0.77 HRH3 (0.47) RAPGEF3HRH3SIGMAR1
SCHEMBL6736042 0.76 RAPGEF3 (0.43) RAPGEF3HRH3SMN1; SMN2POLBMCHR1
SCHEMBL6730287 0.72 HRH3 (0.42) HRH3SIGMAR1

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 RAPGEF3 2984/4885HRH3 530/4885SMN1; SMN2 853/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 RAPGEF3 2984/4885HRH3 530/4885SMN1; SMN2 853/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 RAPGEF3 2984/4885HRH3 530/4885SMN1; SMN2 853/4885

“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.