SCHEMBL5785682

SCHEMBL5785682

Fc1ccccc1-c1nc(N2CCNCC2)nc2ccc(Cl)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.73
NPSR1 Q6W5P4 2/20 0.73
S1PR2 O95136 1/20 0.73
LMNA P02545 1/20 0.73
KMT2A Q03164 1/20 0.73
HIF1A Q16665 1/20 0.73
ALDH1A1 P00352 3/20 0.54
USP2 O75604 2/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR2A P28223 2/20 0.49
CETP P11597 2/20 0.46
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45

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
SCHEMBL5786767 0.88 KDM4E (0.72) KDM4ENPSR1S1PR2LMNAKMT2A
SCHEMBL5790102 0.86 ALDH1A1 (0.69) KDM4ENPSR1S1PR2LMNAKMT2A
SCHEMBL5786483 0.84 KDM4E (1.00) KDM4ENPSR1S1PR2LMNAKMT2A
Hydrochloric Acid SCHEMBL5789717 0.84 ALDH1A1 (0.67) KDM4ENPSR1S1PR2LMNAKMT2A
SCHEMBL5787458 0.81 ALDH1A1 (0.53) KDM4ENPSR1S1PR2LMNAKMT2A
SCHEMBL5788049 0.81 ALDH1A1 (0.63) KDM4ENPSR1S1PR2LMNAKMT2A
Hydrochloric Acid SCHEMBL5805120 0.81 ALDH1A1 (0.62) KDM4ENPSR1S1PR2LMNAKMT2A
SCHEMBL4404867 0.80 KDM4E (0.60) KDM4ENPSR1S1PR2LMNAKMT2A
SCHEMBL5790193 0.80 HIF1A (0.51) KDM4ENPSR1S1PR2LMNAKMT2A
SCHEMBL1084283 0.80 MAPT (0.62) KDM4ENPSR1S1PR2LMNAKMT2A

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-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP claimed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO claimed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 US claimed
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 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 (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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 KDM4E 1392/4885NPSR1 34/4885S1PR2 285/4885

“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.