SCHEMBL5136271

SCHEMBL5136271

CCCCn1c(C(C)N(Cc2ccccc2)Cc2ccc(O)cc2Cl)cnc1-c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PDK1 Q15118 1/20 0.35
CNR2 P34972 1/20 0.33
P2RX7 Q99572 3/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CDK9 P50750 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CMA1 P23946 1/20 0.31
CTRC Q99895 1/20 0.31

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
SCHEMBL5134953 0.92 MEN1 (0.36) MEN1KMT2AMAOAMAOBP2RX7
SCHEMBL5136610 0.90 MEN1 (0.36) MEN1KMT2AMAOAMAOBP2RX7
SCHEMBL5137587 0.84 PDK1 (0.36) MEN1KMT2AMAOBPDK1CNR2
SCHEMBL5072274 0.83 TSHR (0.35) MEN1KMT2APDK1UBE2MDCUN1D1
SCHEMBL5136213 0.82 C5AR1 (0.50) TDP1
SCHEMBL5135154 0.82 MEN1 (0.40) MEN1KMT2APDK1CNR2LTB4R2
SCHEMBL5135226 0.80 MEN1 (0.38) MEN1KMT2ACNR2UBE2MDCUN1D1
SCHEMBL5136275 0.79 MEN1 (0.38) MEN1KMT2AP2RX7
SCHEMBL5134901 0.78 MEN1 (0.37) MEN1KMT2AMAOAMAOBP2RX7
SCHEMBL5134757 0.78 ICMT (0.35) MEN1KMT2AP2RX7LTB4R2KDM4E

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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 MEN1 4152/4885KMT2A 4117/4885MAOA 675/4885

“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.