SCHEMBL5786151

SCHEMBL5786151

Fc1ccc2c(-c3ccccc3C(F)(F)F)nc(N3CCNCC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.47
CYP2C9 P11712 1/20 0.47
S1PR2 O95136 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB2 P07550 1/20 0.44
PRKCB P05771 3/20 0.44
PRKCA P17252 3/20 0.44
PRKCH P24723 3/20 0.44
PRKCE Q02156 3/20 0.44
PRKCQ Q04759 3/20 0.44
PRKCD Q05655 3/20 0.44
HTR2A P28223 3/20 0.43
DAPK3 O43293 1/20 0.40

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
SCHEMBL5787458 0.86 ALDH1A1 (0.53) CYP1A2ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5787992 0.83 HTR2A (0.53) CYP1A2ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5787181 0.82 ALDH1A1 (0.48) CYP1A2ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5786281 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDS1PR2LMNA
SCHEMBL5789468 0.82 ALDH1A1 (0.74) CYP1A2ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5787147 0.80 KDM4E (0.47) CYP1A2ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5788559 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDS1PR2LMNA
SCHEMBL5788424 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDS1PR2LMNA
SCHEMBL5787010 0.79 ALDH1A1 (0.52) CYP1A2ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5785662 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDS1PR2LMNA

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 CYP1A2 169/4885ALDH1A1 730/4885KDM4E 1392/4885

“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.