SCHEMBL5796761

SCHEMBL5796761

O=C(O)c1nnn(Cc2cc(Cl)cc(Cl)c2)c1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
GALR3 O60755 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NR2F2 P24468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
MGLL Q99685 1/20 0.39
KMO O15229 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 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
SCHEMBL4708291 0.83 HPGD (0.39) KCNH2HPGDALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4706152 0.79 RXFP1 (0.47) KCNH2ALDH1A1CYP3A4SMN1; SMN2NPC1
SCHEMBL4638825 0.76 HPGD (0.50) HPGDGALR3CYP3A4CYP2C9NR2F2
SCHEMBL2367657 0.74 GRN (0.49) HPGDGALR3CYP3A4CYP2C9NR2F2
SCHEMBL4708213 0.72 USP2 (0.44) ALDH1A1CYP3A4CYP2C9SMN1; SMN2HIF1A
SCHEMBL5797687 0.71 CASP1 (0.43) HPGDALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL5795924 0.71 CASP1 (0.42) HPGDALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL4708746 0.69 TACR1 (0.42) HPGDALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL5793962 0.69 CYP2D6 (0.39) HPGDALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL5769350 0.69 CYP2D6 (0.44) HPGDALDH1A1CYP3A4CYP2C9SMN1; SMN2

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-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 KCNH2 66/4885HPGD 1291/4885ALDH1A1 1815/4885

“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.