SCHEMBL5019958

SCHEMBL5019958

Fc1cccc(OCc2ccccc2)c1C1=CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.54
SLC6A2 P23975 5/20 0.54
SLC6A4 P31645 5/20 0.54
SLC6A3 Q01959 5/20 0.54
KDM1A O60341 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
HTR2C P28335 2/20 0.43
PRMT5 O14744 3/20 0.42
HTR6 P50406 3/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
HTR2A P28223 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL5019997 0.89 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL15227112 0.85 KDM1A (0.46) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL15236731 0.80 HTR2C (0.53) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL5020009 0.80 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL5020019 0.79 HTR6 (0.54) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL5020041 0.79 HTR6 (0.42) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL4562535 0.79 CCNT1 (0.50) SIGMAR1HTR2CHTR6MAPTHTR2A
SCHEMBL24196806 0.78 SIGMAR1 (0.55) SIGMAR1HTR2CHTR6MAPTHTR2A
SCHEMBL31640013 0.74 HTR6 (0.52) SIGMAR1HTR2CPRMT5HTR6CCNT1
SCHEMBL4672600 0.73 PRMT5 (0.64) SLC6A2SLC6A3SIGMAR1HTR2CPRMT5

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
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 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-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 HTR1A 702/4885SLC6A2 182/4885SLC6A4 358/4885

“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.