SCHEMBL2432228

SCHEMBL2432228

CC(=O)OCCNCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
KCNH2 Q12809 2/20 0.50
ABCB1 P08183 2/20 0.48
CNR1 P21554 3/20 0.47
CNR2 P34972 2/20 0.47
EPHX2 P34913 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
CASR P41180 4/20 0.47
KMT2A Q03164 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45

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
SCHEMBL2432448 0.84 KCNH2 (0.50) MTNR1AMTNR1BKCNH2CNR1CNR2
SCHEMBL3980676 0.83 MTNR1A (0.53) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL11796932 0.77 KCNH2 (0.76) MTNR1AMTNR1BKCNH2CNR1CNR2
SCHEMBL27760556 0.76 ALDH1A1 (0.55) KMT2A
Hydrochloric Acid SCHEMBL11794831 0.75 KCNH2 (0.73) MTNR1AMTNR1BKCNH2CNR1CNR2
Acetic Acid SCHEMBL8586630 0.75 ALDH1A1 (0.46) KMT2A
SCHEMBL68618 0.75 ALDH1A1 (0.50) KMT2A
SCHEMBL5846249 0.75 KCNH2 (0.58) MTNR1AMTNR1BKCNH2CNR1CNR2
SCHEMBL6005586 0.74 LTA4H (0.53) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL5026067 0.74 CYP3A4 (0.58) MTNR1AMTNR1BKCNH2CASRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 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 (1 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 MTNR1A 1639/4885MTNR1B 1037/4885KCNH2 1594/4885

“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.