SCHEMBL3583731

SCHEMBL3583731

CCN(CC)CCCOc1ccc([N])cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
HRH3 Q9Y5N1 2/20 0.54
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
CYP1A2 P05177 1/20 0.50
LTA4H P09960 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL3576461 0.91 EBP (0.62) KDM4EHRH3EBPSIGMAR1CYP1A2
SCHEMBL12865043 0.83 KDM4E (0.60) KDM4EHRH3EBPSIGMAR1CYP1A2
SCHEMBL491657 0.82 KDM4E (0.55) KDM4EHRH3
SCHEMBL3445367 0.81 KDM4E (0.68) KDM4EHRH3EBPSIGMAR1
SCHEMBL1283881 0.81 KDM4E (0.58) KDM4EHRH3EBPSIGMAR1CYP1A2
SCHEMBL10894213 0.81 KDM4E (0.58) KDM4EHRH3EBPSIGMAR1
SCHEMBL6676718 0.81 LTA4H (0.62) KDM4ECYP1A2LTA4HCYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10425852 0.80 KDM4E (0.57) KDM4EHRH3EBPSIGMAR1
SCHEMBL9706125 0.80 EBP (0.72) HRH3EBPSIGMAR1CYP1A2LTA4H
SCHEMBL491870 0.80 HRH3 (0.56) KDM4EHRH3EBPSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO 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 (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDM4E 891/4885HRH3 2899/4885EBP 4513/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KDM4E 1393/4885HRH3 3666/4885EBP 4257/4885

“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.