SCHEMBL5837567

SCHEMBL5837567

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

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.65
SLC6A4 P31645 12/20 0.65
KCNH2 Q12809 11/20 0.65
AR P10275 5/20 0.55
LRRK2 Q5S007 1/20 0.50
FFAR1 O14842 1/20 0.43

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
SCHEMBL5836873 0.79 SLC6A4 (1.00) HTR2ASLC6A4KCNH2
SCHEMBL378936 0.79 LRRK2 (0.50) HTR2ASLC6A4KCNH2ARLRRK2
SCHEMBL13875516 0.79 AR (0.62) HTR2ASLC6A4KCNH2ARLRRK2
SCHEMBL14833394 0.79 HTR2A (0.56) HTR2ASLC6A4KCNH2AR
SCHEMBL5837334 0.78 HTR2A (0.57) HTR2ASLC6A4KCNH2ARFFAR1
SCHEMBL25355415 0.78 AR (0.55) HTR2ASLC6A4KCNH2ARLRRK2
SCHEMBL4376339 0.78 AR (0.55) HTR2ASLC6A4KCNH2ARLRRK2
SCHEMBL8826047 0.78 AR (0.56) SLC6A4ARLRRK2FFAR1
SCHEMBL16453433 0.77 LRRK2 (0.48) HTR2ASLC6A4KCNH2ARLRRK2
SCHEMBL5837896 0.76 HTR2A (1.00) HTR2ASLC6A4KCNH2

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 HTR2A 24/4885SLC6A4 2/4885KCNH2 1224/4885
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A3, SLC18A2 HTR2A 14/4885SLC6A4 4/4885KCNH2 1492/4885

“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.