SCHEMBL5791549

SCHEMBL5791549

CC1CNCCN1c1nc(-c2c(F)cccc2Cl)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPAST Q9UBP0 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTR2C P28335 11/20 0.41
HTR2B P41595 6/20 0.41
HTR2A P28223 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
PIM1 P11309 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NTRK1 P04629 1/20 0.37
MAP4K1 Q92918 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL5805450 1.00 SPAST (0.46) SPASTALDH1A1HPGDHTR2CHTR2B
SCHEMBL5804111 0.92 SPAST (0.50) SPASTALDH1A1HPGDHTR2CHTR2B
SCHEMBL5788430 0.92 SPAST (0.50) SPASTALDH1A1HPGDHTR2CHTR2B
SCHEMBL6335974 0.92 SPAST (0.50) SPASTALDH1A1HPGDHTR2CHTR2B
SCHEMBL6327493 0.84 SPAST (0.47) SPASTALDH1A1HPGDHTR2CHTR2B
SCHEMBL5787896 0.84 SPAST (0.47) SPASTALDH1A1HPGDHTR2CHTR2B
SCHEMBL6328772 0.84 SPAST (0.47) SPASTALDH1A1HPGDHTR2CHTR2B
SCHEMBL5787773 0.82 ALDH1A1 (0.63) ALDH1A1HPGDHTR2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5787470 0.81 ALDH1A1 (0.62) ALDH1A1HPGDHTR2ACYP1A2CYP3A4
SCHEMBL5787049 0.81 ALDH1A1 (0.64) SPASTALDH1A1HPGDHTR2CMEN1

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 SPAST 1702/4885ALDH1A1 730/4885HPGD 2714/4885

“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.