SCHEMBL5020033

SCHEMBL5020033

COc1c(F)cccc1C1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.67
SLC6A2 P23975 12/20 0.67
SLC6A4 P31645 12/20 0.67
SLC6A3 Q01959 8/20 0.67
HTR2C P28335 7/20 0.57
HTR6 P50406 1/20 0.48

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
Water SCHEMBL28317600 0.89 SLC6A2 (0.55) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL2046629 0.88 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL15912627 0.85 ALOX5AP (0.51) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL15226931 0.84 SLC6A2 (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL6925353 0.83 SLC6A2 (0.69) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL5584542 0.82 HTR2C (0.73) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL27812820 0.82 HTR2C (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL19703133 0.81 HTR2C (0.57) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL2781463 0.80 HTR2C (0.65) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL10819363 0.79 GRM2 (0.47) HTR1ASLC6A2SLC6A4SLC6A3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 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
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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 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-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.