SCHEMBL5430784

SCHEMBL5430784

Fc1ccccc1C(Br)Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.44
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ACP3 P15309 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
MC4R P32245 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL28420951 0.85 IDO1 (0.45) CNR2SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL13113800 0.78 CNR1 (0.52) CNR2CNR1SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL3373474 0.76 CNR1 (0.51) CNR2CNR1SLC6A4SLC6A2SLC6A3
SCHEMBL13068249 0.75 CNR1 (0.58) CNR2CNR1SLC6A2SLC6A3
SCHEMBL7009003 0.74 SLC6A4 (0.47) CNR2CNR1SLC6A4SLC6A2SLC6A3
SCHEMBL31069255 0.71 IDO1 (0.38) CNR2SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL6258732 0.70 MC4R (0.41) CNR2SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL20187556 0.69 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3GAAPPARG
SCHEMBL27669076 0.68 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8938081 0.67 CCR1 (0.51) CNR2CNR1MAPTMEN1KMT2A

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
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP disclosed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US 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 (2 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 CNR2 29/4885CNR1 31/4885SLC6A4 743/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 CNR2 28/4885CNR1 45/4885SLC6A4 584/4885

“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.