SCHEMBL5394686

SCHEMBL5394686

CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CN(C(=O)OC(C)(C)C)CCN1c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.44
PAK1 Q13153 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
LMNA P02545 4/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.38
USP30 Q70CQ3 1/20 0.38
BRD3 Q15059 1/20 0.37

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
SCHEMBL5389958 0.93 TACR1 (0.52) TACR1PAK1MAPTGPR119STS
SCHEMBL5395886 0.89 TACR1 (0.43) TACR1PAK1MAPTSMN1; SMN2GPR119
SCHEMBL5409066 0.89 TACR1 (0.43) TACR1PAK1GPR119STSJAK2
SCHEMBL5398236 0.89 TACR1 (0.57) TACR1
SCHEMBL6259747 0.87 TACR1 (0.45) TACR1SMN1; SMN2
SCHEMBL5398539 0.85 TACR1 (0.49) TACR1PAK1MAPTGPR119LMNA
SCHEMBL5398565 0.84 TACR1 (0.52) TACR1MAPTSMN1; SMN2GPR119JAK2
SCHEMBL5390865 0.82 TACR1 (0.50) TACR1MAPTSMN1; SMN2GPR119STS
SCHEMBL5391942 0.81 TACR1 (0.45) TACR1PAK1MAPTGPR119LMNA
SCHEMBL5390778 0.81 TACR1 (0.62) TACR1

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 2 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
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 TACR1 49/4885PAK1 2048/4885MAPT 2501/4885

“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.