SCHEMBL6677544

SCHEMBL6677544

NCC1CC1c1cccc2c1OCC2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.50
HTR2B P41595 18/20 0.50
HTR2A P28223 12/20 0.50
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
PARP1 P09874 1/20 0.44
MAOB P27338 1/20 0.42

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
SCHEMBL6677547 1.00 HTR2C (0.50) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6680810 0.79 HTR2C (0.51) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6680808 0.79 HTR2C (0.51) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL30529740 0.75 MTNR1B (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL17020523 0.75 MTNR1B (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL28417583 0.75 MTNR1B (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL15255143 0.75 MTNR1B (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL17269309 0.75 MTNR1B (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6682129 0.75 MTNR1B (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6681416 0.75 MTNR1B (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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-2825538-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2016-06-01 EP disclosed
EP-2825538-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Bristol-Myers Squibb Company (US) 2015-01-21 EP disclosed
US-8765767-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-01 US disclosed
WO-2013138687-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-19 WO disclosed
US-20130245042-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2013-09-19 US disclosed
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP 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-20130245042-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2C HTR2C 57/4885HTR2B 171/4885HTR2A 76/4885

“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.