SCHEMBL5787773

SCHEMBL5787773

Fc1cccc(Cl)c1-c1nc(N2CCNCC2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
HTR2A P28223 5/20 0.57
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
S1PR2 O95136 1/20 0.53
HIF1A Q16665 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PRKCB P05771 3/20 0.47
PRKCA P17252 3/20 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
Hydrochloric Acid SCHEMBL5787470 0.99 ALDH1A1 (0.62) ALDH1A1HPGDHTR2AKDM4EKMT2A
SCHEMBL5786765 0.91 ALDH1A1 (0.71) ALDH1A1HPGDHTR2AKDM4EKMT2A
SCHEMBL5786658 0.91 ALDH1A1 (0.71) ALDH1A1HPGDHTR2AKDM4EKMT2A
Hydrochloric Acid SCHEMBL5788560 0.90 ALDH1A1 (0.69) ALDH1A1HPGDHTR2AKDM4EKMT2A
SCHEMBL5790102 0.83 ALDH1A1 (0.69) ALDH1A1HPGDHTR2AKDM4EKMT2A
SCHEMBL5788388 0.83 ALDH1A1 (0.69) ALDH1A1HPGDHTR2AKDM4EKMT2A
SCHEMBL5805450 0.82 SPAST (0.46) ALDH1A1HPGDHTR2AKMT2ATDP1
SCHEMBL5791549 0.82 SPAST (0.46) ALDH1A1HPGDHTR2AKMT2ATDP1
SCHEMBL5786652 0.82 ALDH1A1 (0.64) ALDH1A1HPGDHTR2AKDM4EKMT2A
Hydrochloric Acid SCHEMBL5789717 0.81 ALDH1A1 (0.67) ALDH1A1HPGDHTR2AKDM4EKMT2A

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 ALDH1A1 730/4885HPGD 2714/4885HTR2A 52/4885

“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.