SCHEMBL6734382

SCHEMBL6734382

CCN(CC)Cc1cccc(N(C(=O)CCN2CCN(Cc3cc(C)cc(C)c3)C2=C(C#N)C#N)C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
BCHE P06276 1/20 0.32
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AOC3 Q16853 1/20 0.30
NMT1 P30419 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6737938 0.90 HRH3 (0.35) HRH3HTR2CKDM4EALDH1A1CYP3A4
SCHEMBL6739873 0.89 HRH3 (0.35) HRH3HTR2CKDM4EALDH1A1CYP3A4
SCHEMBL6732800 0.89 HDAC3 (0.37) HRH3HTR2CKDM4EALDH1A1
SCHEMBL6733942 0.88 HRH3 (0.36) HRH3HTR2C
SCHEMBL6737153 0.87 HRH3 (0.40) HRH3KDM4EALDH1A1
SCHEMBL6839627 0.86 LMNA (0.37) HRH3KDM4EALDH1A1
SCHEMBL6735998 0.83 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL6729982 0.78 HRH3 (0.40) HRH3KDM4E
SCHEMBL6732976 0.78 HRH3 (0.41) HRH3
SCHEMBL6734999 0.77 CYP2D6 (0.42) HRH3KDM4E

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 530/4885BCHE 3573/4885HTR2C 2743/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885BCHE 3573/4885HTR2C 2743/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885BCHE 3573/4885HTR2C 2743/4885

“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.