SCHEMBL5400769

SCHEMBL5400769

O=C(O)C1CN(Cc2ccccc2)CCN1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.53
TACR1 P25103 2/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MCHR1 Q99705 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 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
SCHEMBL27784713 0.91 AGTR2 (0.59) AGTR2TACR1DRD4SIGMAR1S1PR1
SCHEMBL5391121 0.85 L3MBTL1 (0.51) TACR1DRD2DRD4MEN1KMT2A
SCHEMBL29450275 0.84 SIGMAR1 (0.57) AGTR2SIGMAR1
SCHEMBL18586722 0.84 SIGMAR1 (0.57) AGTR2SIGMAR1
SCHEMBL5386170 0.81 MEN1 (0.50) AGTR2TACR1DRD2DRD4SIGMAR1
Hydrochloric Acid SCHEMBL5392623 0.80 MEN1 (0.49) AGTR2TACR1DRD2DRD4SIGMAR1
SCHEMBL9593679 0.77 MMP1 (0.48) AGTR2DRD2DRD4SIGMAR1MCHR1
SCHEMBL3645089 0.77 AGTR2 (0.53) AGTR2S1PR1S1PR5ATM
SCHEMBL8343227 0.76 AGTR2 (0.61) AGTR2SIGMAR1S1PR1S1PR5KMT2A
SCHEMBL8409861 0.76 AGTR2 (0.61) AGTR2SIGMAR1S1PR1S1PR5KMT2A

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 5 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
EP-1423117-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-06-02 EP disclosed
WO-2003015784-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-02-27 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 (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 AGTR2 184/4885TACR1 49/4885DRD2 97/4885

“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.