SCHEMBL3054516

SCHEMBL3054516

CC1CCC1(N)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A3 Q01959 4/20 0.38
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
CCR2 P41597 1/20 0.33

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
SCHEMBL3067375 0.82 MAOB (0.52) MAOBMAOASLC6A3KDM1ARCOR1
SCHEMBL3052073 0.80 KDM1A (0.47) MAOBMAOAKDM1A
SCHEMBL1650476 0.71 MAOB (0.54) MAOBMAOASLC6A3KDM1ARCOR1
SCHEMBL11487632 0.69 CYP2D6 (0.49) CCR2
SCHEMBL23001568 0.69 MAOB (0.39) MAOBMAOASLC6A3
SCHEMBL23595661 0.68 KDM1A (0.45) SLC6A3KDM1ASLC6A4SLC6A2CHRNA1
SCHEMBL23595690 0.68 KDM1A (0.45) SLC6A3KDM1ASLC6A4SLC6A2CHRNA1
SCHEMBL23595698 0.68
SCHEMBL23595697 0.68
SCHEMBL25502573 0.68 MAOB (0.43) MAOBMAOASLC6A3SLC6A4SLC6A2

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
CN-102015677-A Pyrimidinone derivatives and methods of use thereof SCHERING CORP 2011-04-13 CN disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
EP-2148869-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 MAOB 1740/4885MAOA 2821/4885SLC6A3 1040/4885

“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.