SCHEMBL5409066

SCHEMBL5409066

CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CN(C(=O)OC(C)(C)C)CCN1c1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
STS P08842 2/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
PAK1 Q13153 1/20 0.36
CNR1 P21554 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
USP30 Q70CQ3 1/20 0.36
NR1D1 P20393 1/20 0.36
CCR1 P32246 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP3A5 P20815 2/20 0.35

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
SCHEMBL5394686 0.89 TACR1 (0.44) TACR1STSJAK2JAK1PAK1
SCHEMBL5395886 0.89 TACR1 (0.43) TACR1STSJAK2JAK1PAK1
SCHEMBL5400644 0.88 TACR1 (0.56) TACR1HDAC6CYP3A4
SCHEMBL6259791 0.86 CCR1 (0.39) TACR1CCR1
SCHEMBL5389958 0.86 TACR1 (0.52) TACR1STSJAK2JAK1PAK1
SCHEMBL5390865 0.84 TACR1 (0.50) TACR1STSJAK2JAK1CNR1
SCHEMBL5388332 0.78 HDAC6 (0.47) JAK2JAK1HDAC6GPR119USP30
SCHEMBL5398236 0.78 TACR1 (0.57) TACR1CYP3A4
SCHEMBL5398539 0.77 TACR1 (0.49) TACR1PAK1GPR119CCR1
SCHEMBL5398565 0.77 TACR1 (0.52) TACR1JAK2JAK1GPR119CYP3A4

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 49/4885STS 1794/4885JAK2 1675/4885

“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.