SCHEMBL6734004

SCHEMBL6734004

N#CC(C#N)=C1N(CCC(=O)O)CCN1Cc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.67
CMA1 P23946 1/20 0.49
TDP1 Q9NUW8 1/20 0.42
OPRL1 P41146 1/20 0.41
HDAC1 Q13547 1/20 0.41
FAAH O00519 1/20 0.41
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.40
SLC12A2 P55011 1/20 0.40
SLC12A5 Q9H2X9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 2/20 0.38
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL7665076 0.85 HRH3 (0.71) HRH3OPRL1HDAC1GRM2GRM3
SCHEMBL7657076 0.84 HRH3 (0.76) HRH3OPRL1HDAC1DPP4
SCHEMBL7655208 0.83 HRH3 (0.74) HRH3OPRL1HDAC1
SCHEMBL7656135 0.82 HRH3 (0.67) HRH3OPRL1HDAC1FAAHDPP4
SCHEMBL7654001 0.80 HRH3 (0.64) HRH3OPRL1HDAC1DPP4
SCHEMBL6733896 0.75 HRH3 (0.59) HRH3HDAC1KMT2AMEN1
SCHEMBL7666593 0.74 HRH3 (0.71) HRH3OPRL1
SCHEMBL7654053 0.74 HRH3 (0.60) HRH3OPRL1HDAC1KMT2AMEN1
SCHEMBL7657546 0.74 HRH3 (0.69) HRH3TDP1OPRL1HDAC1SMN1; SMN2
SCHEMBL7652819 0.73 HRH3 (0.77) HRH3TDP1OPRL1HDAC1CYP1A2

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 530/4885CMA1 539/4885TDP1 1268/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885CMA1 539/4885TDP1 1268/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885CMA1 539/4885TDP1 1268/4885

“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.