SCHEMBL5020009

SCHEMBL5020009

Fc1cccc(C2=CCNCC2)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HTR2C P28335 2/20 0.47
CDK9 P50750 4/20 0.44
CCNT1 O60563 3/20 0.44
KDM1A O60341 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR6 P50406 3/20 0.44
PRMT5 O14744 3/20 0.42
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
Tert-Butyl Formate SCHEMBL27794141 0.89 HTR1A (0.42) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL15236731 0.80 HTR2C (0.53) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL5019958 0.80 HTR1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL31640013 0.79 HTR6 (0.52) HTR2CCDK9CCNT1MAOAMAOB
SCHEMBL31348189 0.79 CCNT1 (0.60) HTR1AHTR2CCDK9CCNT1SIGMAR1
SCHEMBL5020019 0.77 HTR6 (0.54) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL3690362 0.76 HTR2C (0.61) HTR1AHTR2CCDK9CCNT1SIGMAR1
SCHEMBL2269949 0.76 HTR2C (0.61) HTR1AHTR2CCDK9CCNT1SIGMAR1
Hydrochloric Acid SCHEMBL29882300 0.76 HTR2C (0.61) HTR1AHTR2CCDK9CCNT1SIGMAR1
Hydrochloric Acid SCHEMBL29923085 0.75 PRMT5 (0.62) SLC6A2SLC6A3HTR2CMAOAMAOB

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.