SCHEMBL5837296

SCHEMBL5837296

N#Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.57
CYP2C19 P33261 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 5/20 0.57
HTR2A P28223 4/20 0.57
SLC6A4 P31645 4/20 0.57
AR P10275 3/20 0.54
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
SLC22A11 Q9NSA0 1/20 0.50
PLA2G7 Q13093 1/20 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
SCHEMBL4186077 0.84 AR (0.67) SLC22A12CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL9121316 0.83 AR (0.61) SLC22A12CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL28288101 0.82 HTR2A (0.55) SLC22A12CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL14081445 0.82 AR (0.57) SLC22A12KCNH2HTR2ASLC6A4AR
SCHEMBL4181443 0.81 AR (0.72) SLC22A12CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL4182051 0.80 AR (0.59) SLC22A12CYP2C19KCNH2HTR2ASLC6A4
SCHEMBL16059840 0.79 SLC22A12 (0.48) SLC22A12CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL11752736 0.78 AR (0.57) SLC22A12KDM4EMEN1ALDH1A1HPGD
SCHEMBL5949965 0.78 AR (0.56) SLC22A12ARPLA2G7
SCHEMBL4103326 0.78 HTR2A (0.53) SLC22A12KDM4EMEN1ALDH1A1HPGD

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
US-7084165-B2 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC (US) 2006-08-01 US disclosed
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC 2004-03-11 US disclosed
US-6677378-B2 AS SEROTONIN, NOREPINEPHRINE AND DOPAMINE REUPTAKE INHIBITORS, FOR THERAPY OF CENTRAL NERVOUS SYSTEM AND OTHER DISORDERS PFIZER INC. 2004-01-13 US disclosed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US disclosed
EP-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP disclosed
WO-2000050380-A1 MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2000-08-31 WO 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 (2 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-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A4, SLC6A3 SLC22A12 406/4885CYP2C19 195/4885KDM4E 786/4885
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A3, SLC18A2 SLC22A12 238/4885CYP2C19 303/4885KDM4E 2256/4885

“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.