SCHEMBL4176060

SCHEMBL4176060

c1ccc(C2CCN(C3CC[N]CC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.69
GRIN2B Q13224 3/20 0.65
CYP2D6 P10635 3/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
TRPV6 Q9H1D0 1/20 0.48

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
SCHEMBL3121558 0.90 SLC18A3 (0.56) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL3120519 0.90 SLC18A3 (0.56) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL3120525 0.90 SLC18A3 (0.56) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL2965273 0.87 SLC18A3 (0.81) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL30563652 0.83 SLC18A3 (0.96) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
Cyanide SCHEMBL27976792 0.81 SLC18A3 (0.73) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL7888827 0.81 SLC18A3 (1.00) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL11121512 0.81 SLC18A3 (1.00) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL206905 0.80 SLC18A3 (0.54) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL7879553 0.80 SLC18A3 (0.96) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US claimed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP claimed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO claimed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 SLC18A3 1092/4885GRIN2B 471/4885CYP2D6 1667/4885

“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.