SCHEMBL6737935

SCHEMBL6737935

N#CC(C#N)=C1N(CCC(=O)Nc2cc(CN3CCCCC3)ccc2Cl)CCN1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.44
CACNA1G O43497 5/20 0.42
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ACKR3 P25106 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6736042 0.92 RAPGEF3 (0.43) RAPGEF3CACNA1GCHRM1HTR2AMCHR1
SCHEMBL6734536 0.83 SMN1; SMN2 (0.48) RAPGEF3CACNA1GHRH3SMN1; SMN2POLB
SCHEMBL6733733 0.79 RAPGEF3 (0.39) RAPGEF3MCHR1HRH3SMN1; SMN2POLB
SCHEMBL6734463 0.76 ACKR3 (0.44) SMN1; SMN2ACKR3POLB
SCHEMBL6734631 0.75 RAPGEF3 (0.38) RAPGEF3MCHR1HRH3SMN1; SMN2
SCHEMBL6733915 0.75 HRH3 (0.40) RAPGEF3HRH3POLB
SCHEMBL6729982 0.74 HRH3 (0.40) RAPGEF3MCHR1HRH3
SCHEMBL7659514 0.74 RAPGEF3 (0.46) RAPGEF3MCHR1HRH3
SCHEMBL7660195 0.73 HRH3 (0.47) RAPGEF3HRH3
SCHEMBL6805174 0.69 HRH3 (0.40) RAPGEF3CACNA1GMCHR1HRH3

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 2984/4885CACNA1G 2852/4885CHRM1 2517/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 RAPGEF3 2984/4885CACNA1G 2852/4885CHRM1 2517/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 RAPGEF3 2984/4885CACNA1G 2852/4885CHRM1 2517/4885

“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.