SCHEMBL4942745

SCHEMBL4942745

Fc1ccccc1-c1nc2ccccc2n1CCCCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CXCR4 P61073 1/20 0.47
KMT2A Q03164 3/20 0.46
TP53 P04637 4/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 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
SCHEMBL4944395 0.84 LMNA (0.54) PDE2APDE10ACXCR4KMT2ATP53
SCHEMBL29056671 0.82 DRD3 (0.57) PDE2APDE10AKMT2ATP53GAA
SCHEMBL4937201 0.81 DRD2 (0.53) CXCR4KMT2ATP53GAAKDM4E
SCHEMBL4938222 0.80 HPGD (0.61) CXCR4TP53GAAKDM4EALDH1A1
SCHEMBL4946603 0.79 HPGD (0.59) CXCR4TP53GAAKDM4EALDH1A1
SCHEMBL229426 0.76 TP53 (0.68) CXCR4TP53GAAKDM4EALDH1A1
SCHEMBL6142493 0.73 TP53 (0.65) TP53GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3714642 0.73 PDE10A (0.56) PDE2APDE10AKMT2ATP53GAA
SCHEMBL7160524 0.73 TP53 (0.64) TP53GAAALDH1A1SMN1; SMN2DRD2
SCHEMBL4944430 0.73 TP53 (0.60) TP53GAAKDM4EALDH1A1SMN1; SMN2

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 PDE2A 1952/4885PDE10A 2111/4885CXCR4 1483/4885

“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.