SCHEMBL5787992

SCHEMBL5787992

COc1ccccc1-c1nc(N2CCNCC2)nc2cc(F)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51
UBE2N P61088 1/20 0.51
HTR7 P34969 5/20 0.48
CYP2C19 P33261 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL5788948 0.88 ALDH1A1 (0.64) HTR2AALDH1A1HPGDKDM4EMAPT
SCHEMBL5787458 0.86 ALDH1A1 (0.53) HTR2AALDH1A1HPGDKDM4EHTR7
Hydrochloric Acid SCHEMBL5787241 0.86 ALDH1A1 (0.63) HTR2AALDH1A1HPGDKDM4EMAPT
SCHEMBL4404867 0.83 KDM4E (0.60) HTR2AALDH1A1HPGDKDM4EMAPT
SCHEMBL5786151 0.83 CYP1A2 (0.50) HTR2AALDH1A1HPGDKDM4EHTR7
SCHEMBL5787181 0.82 ALDH1A1 (0.48) HTR2AALDH1A1HPGDKDM4EMAPT
SCHEMBL5788424 0.82 ALDH1A1 (0.47) HTR2AALDH1A1HPGDKDM4EMAPT
SCHEMBL5788559 0.82 ALDH1A1 (0.47) HTR2AALDH1A1HPGDKDM4EMAPT
SCHEMBL5786281 0.82 ALDH1A1 (0.49) HTR2AALDH1A1HPGDKDM4EMAPT
SCHEMBL5789468 0.82 ALDH1A1 (0.74) HTR2AALDH1A1HPGDKDM4EPOLB

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 HTR2A 52/4885ALDH1A1 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.