SCHEMBL615000

SCHEMBL615000

N#Cc1cccc(C2=CCC(=O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.42
MAOB P27338 2/20 0.41
PGR P06401 5/20 0.41
PRKDC P78527 1/20 0.40
XDH P47989 2/20 0.40
SLC22A12 Q96S37 1/20 0.39
CREBBP Q92793 1/20 0.39
CHEK1 O14757 1/20 0.39
PRF1 P14222 1/20 0.39
LRRK2 Q5S007 1/20 0.38
IDO1 P14902 2/20 0.38
NOTUM Q6P988 1/20 0.38
BACE1 P56817 1/20 0.38
HRH3 Q9Y5N1 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
Ethylene SCHEMBL4675481 0.97 CLK4 (0.41) CLK4MAOBPGRPRKDCXDH
SCHEMBL3231644 0.82 MMP3 (0.39) PGRPRKDCNOTUM
SCHEMBL27803799 0.80 CLK4 (0.50) CLK4MAOBPGRXDHSLC22A12
SCHEMBL14102137 0.78 CLK4 (0.45) CLK4MAOBPGRPRKDCXDH
SCHEMBL13112846 0.76 HTR2C (0.53) PGRIDO1NOTUM
SCHEMBL16070836 0.76 PARP10 (0.40) PRKDCNOTUM
SCHEMBL16543132 0.76 L3MBTL1 (0.42) CLK4MAOBPGRNOTUM
SCHEMBL10198086 0.75 MAT2A (0.45) NOTUM
SCHEMBL421011 0.74 CLK4 (0.45) CLK4MAOBPGRXDHSLC22A12
SCHEMBL1871177 0.73 HTR2C (0.62) CLK4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
EP-1453501-B1 N- ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORP (US) 2008-08-13 EP disclosed
EP-1453501-B1 N- ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORP (US) 2008-08-13 EP disclosed
US-7348328-B2 MCH antagonists for the treatment of obesity SCHERING CORPORATION (US) 2008-03-25 US disclosed
US-7348328-B2 MCH antagonists for the treatment of obesity SCHERING CORPORATION (US) 2008-03-25 US disclosed
EP-1453501-A1 N- ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2004-09-08 EP disclosed
US-20040122017-A1 MCH antagonists for the treatment of obesity SCHERING CORPORATION 2004-06-24 US disclosed
WO-2003047568-A1 N-ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2003-06-12 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 (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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CLK4 4123/4885MAOB 2152/4885PGR 1353/4885
US-20040122017-A1 MCH antagonists for the treatment of obesity MCHR1, MCHR2, MC4R CLK4 3065/4885MAOB 347/4885PGR 2611/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CLK4 4123/4885MAOB 2152/4885PGR 1353/4885

“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.