SCHEMBL4543397

SCHEMBL4543397

Oc1cccc(F)c1C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.58
SLC6A2 P23975 10/20 0.58
SLC6A4 P31645 10/20 0.58
SLC6A3 Q01959 8/20 0.58
QDPR P09417 1/20 0.43
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRM3 P20309 1/20 0.40
IKBKB O14920 1/20 0.39
HTR2C P28335 3/20 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
SCHEMBL31518094 0.87 ABCB1 (0.47) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL1765128 0.87 HTR1A (0.67) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
Hydrochloric Acid SCHEMBL6075201 0.85 HTR1A (0.65) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL31614201 0.83 ABCB1 (0.45) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL23215227 0.79 QDPR (0.43) HTR1ASLC6A2SLC6A4SLC6A3QDPR
SCHEMBL4706866 0.79 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL30852165 0.79 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL29768397 0.79 QDPR (0.43) HTR1ASLC6A2SLC6A4SLC6A3QDPR
SCHEMBL3466215 0.79 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL5020018 0.79 QDPR (0.47) HTR1ASLC6A2SLC6A4SLC6A3QDPR

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
EP-2638040-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-18 EP 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
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
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.