SCHEMBL5405775

SCHEMBL5405775

CCOC(=O)C1CN(Cc2ccccc2)CCN1c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.45
PRMT1 Q99873 1/20 0.45
EEF2K O00418 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM4 P08173 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
CCR8 P51685 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3648193 0.93 L3MBTL1 (0.48) L3MBTL1ATMALDH1A1TDP1KDM4E
SCHEMBL5385557 0.88 L3MBTL1 (0.50) L3MBTL1ATMALDH1A1TDP1KDM4E
SCHEMBL5391121 0.86 L3MBTL1 (0.51) L3MBTL1ATMALDH1A1TDP1KDM4E
SCHEMBL3651942 0.84 L3MBTL1 (0.53) L3MBTL1ATMALDH1A1KDM4EPRMT1
SCHEMBL3654006 0.82 L3MBTL1 (0.56) L3MBTL1ATMALDH1A1TDP1KDM4E
SCHEMBL5386170 0.81 MEN1 (0.50) EEF2KMEN1KMT2ACHRM4SIGMAR1
Hydrochloric Acid SCHEMBL5392623 0.80 MEN1 (0.49) KDM4EEEF2KMEN1KMT2ACHRM4
SCHEMBL9581725 0.78 L3MBTL1 (0.55) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL124103 0.78 L3MBTL1 (0.55) L3MBTL1ATMALDH1A1KDM4EMEN1
SCHEMBL5408519 0.78 ALDH1A1 (0.53) L3MBTL1ATMALDH1A1KDM4ECHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
EP-1423117-B1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2005-10-19 EP disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 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-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D L3MBTL1 3252/4885ATM 4783/4885ALDH1A1 1543/4885

“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.