SCHEMBL3537578

SCHEMBL3537578

CCN1CCC(NC(=O)c2ccc(N)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
MCHR1 Q99705 5/20 0.52
HTR4 Q13639 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SLC6A12 P48065 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HPGDS O60760 1/20 0.47
CCR3 P51677 1/20 0.47
ACHE P22303 1/20 0.47
DRD4 P21917 3/20 0.46
SLC6A13 Q9NSD5 1/20 0.46
DPP4 P27487 1/20 0.46

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
SCHEMBL13575520 0.86 HTR4 (0.52) HTR4SLC6A5RECQLKDM4EMEN1
SCHEMBL13575587 0.86 NPC1 (0.54) HTR4SLC6A5KDM4EMEN1MAPT
SCHEMBL3543621 0.86 HDAC6 (0.52) MCHR1SLC6A5HDAC1HDAC6DPP4
SCHEMBL3541247 0.85 HTR4 (0.62) HTR4SLC6A5KDM4EMEN1MAPT
SCHEMBL13575556 0.85 SLC6A5 (0.56) L3MBTL1HTR4SLC6A5RECQLKDM4E
SCHEMBL10093289 0.84 HDAC1 (0.63) MCHR1MEN1KMT2AHDAC1HDAC6
SCHEMBL1560183 0.83 HTR4 (0.63) MCHR1HTR4KDM4EMEN1MAPT
SCHEMBL1560294 0.83 SLC6A5 (0.58) MCHR1HTR4SLC6A5RECQLKDM4E
SCHEMBL13575476 0.82 SSTR5 (0.55) HTR4SLC6A5KDM4EMEN1MAPT
SCHEMBL21652025 0.82 MCHR1 (0.68) L3MBTL1MCHR1SLC6A5RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 L3MBTL1 4825/4885MCHR1 1932/4885HTR4 3043/4885

“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.