SCHEMBL4937201

SCHEMBL4937201

Fc1ccc(-c2nc3ccccc3n2CCCCBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 3/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 3/20 0.49
KDM4E B2RXH2 4/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PIN1 Q13526 2/20 0.48
P2RX7 Q99572 1/20 0.48
GRIA1 P42261 1/20 0.47
CACNG8 Q8WXS5 1/20 0.47
CACNG2 Q9Y698 1/20 0.47
PDE6D O43924 1/20 0.47
ALDH2 P05091 1/20 0.47

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
SCHEMBL4938222 0.89 HPGD (0.61) DRD2DRD3ALDH1A1SMN1; SMN2HPGD
SCHEMBL4946603 0.87 HPGD (0.59) DRD2DRD3ALDH1A1SMN1; SMN2HPGD
SCHEMBL28862183 0.85 TP53 (0.62) DRD2DRD3ALDH1A1SMN1; SMN2HPGD
SCHEMBL13668125 0.82 DRD2 (0.48) DRD2DRD3ALDH1A1SMN1; SMN2HPGD
SCHEMBL4942745 0.81 PDE2A (0.47) DRD2DRD3ALDH1A1SMN1; SMN2HPGD
SCHEMBL18969121 0.79 KDM4E (0.73) ALDH1A1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL4944430 0.78 TP53 (0.60) DRD2DRD3ALDH1A1SMN1; SMN2HPGD
SCHEMBL28261635 0.77 ALDH1A1 (0.72) DRD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL4944395 0.76 LMNA (0.54) ALDH1A1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL29076120 0.75 KDM4E (0.77) ALDH1A1SMN1; SMN2HPGDKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 DRD2 299/4885DRD3 574/4885ALDH1A1 1102/4885

“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.