SCHEMBL5386170

SCHEMBL5386170

Cc1cc(F)ccc1N1CCN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
AGTR2 P50052 1/20 0.47
EEF2K O00418 1/20 0.45
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
CHRM4 P08173 1/20 0.42
TACR1 P25103 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 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
Hydrochloric Acid SCHEMBL5392623 0.99 MEN1 (0.49) MEN1KMT2AAGTR2EEF2KKCNH2
SCHEMBL3648193 0.89 L3MBTL1 (0.48) MEN1KMT2AEEF2K
SCHEMBL3645089 0.86 AGTR2 (0.53) AGTR2KCNH2
SCHEMBL5400769 0.81 AGTR2 (0.53) MEN1KMT2AAGTR2SIGMAR1TACR1
SCHEMBL5405775 0.81 L3MBTL1 (0.48) MEN1KMT2AEEF2KSIGMAR1BCHE
SCHEMBL5397090 0.81 TP53 (0.40) MEN1KMT2AAGTR2EEF2KCHRM4
SCHEMBL5397096 0.81 TP53 (0.40) MEN1KMT2AAGTR2EEF2KCHRM4
SCHEMBL5391800 0.80 TACR1 (0.41) TACR1
SCHEMBL27784680 0.79 DPP4 (0.48) MEN1KMT2AAGTR2KCNH2SIGMAR1
SCHEMBL27784713 0.77 AGTR2 (0.59) MEN1KMT2AAGTR2KCNH2SIGMAR1

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
CN-101778831-A Novel piperazine amide derivatives HOFFMANN LA ROCHE 2010-07-14 CN disclosed
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 MEN1 2276/4885KMT2A 1959/4885AGTR2 184/4885

“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.