SCHEMBL5836433

SCHEMBL5836433

Cc1ccc(Oc2cccc(F)c2CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.46
▸ SLC6A4 P31645 4/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ PARP10 Q53GL7 1/20 0.41
▸ CD274 Q9NZQ7 3/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HRH1 P35367 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TAAR1 Q96RJ0 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
SCHEMBL1341025 0.87 DPP4 (0.46) DPP4SLC6A4PARP10CD274LMNA
SCHEMBL18181866 0.79 SLC6A4 (0.45) SLC6A4HTR2APARP10TEAD4LMNA
SCHEMBL8035743 0.78 PARP10 (0.56) SLC6A4HTR2APARP10TEAD4LMNA
SCHEMBL2426746 0.77 CD274 (0.49) SLC6A4CD274LMNATDP1SLC6A2
SCHEMBL3288360 0.74 SLC6A4 (0.65) DPP4SLC6A4HTR2ATEAD4LMNA
SCHEMBL17778286 0.74 L3MBTL1 (0.51) HTR2ACD274ALDH1A1POLBMAPT
SCHEMBL507282 0.74 MAOB (0.56) DPP4PARP10HRH1MAOB
SCHEMBL19237541 0.73 SLC6A4 (0.46) SLC6A4HTR2APARP10TEAD4LMNA
Water SCHEMBL920135 0.72 MAOB (0.54) DPP4PARP10HRH1MAOB
SCHEMBL20472401 0.72 CSNK2A1 (0.40) CD274ALDH1A1TAAR1

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 DPP4 1629/4885SLC6A4 2/4885HTR2A 24/4885
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A3, SLC18A2 DPP4 1262/4885SLC6A4 4/4885HTR2A 14/4885

“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.

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