SCHEMBL12430499

SCHEMBL12430499

CCCCN(C)C1CCCC[C@@H]1N(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
CYP1A2 P05177 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
ADH1A P07327 2/20 0.35
ADH1C P00326 1/20 0.35
SIGMAR1 Q99720 3/20 0.32
NAAA Q02083 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DNM1 Q05193 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL12430313 1.00 SLC18A3 (0.40) SLC18A3CYP1A2OPRM1OPRK1OPRD1
SCHEMBL12510576 0.96 SLC18A3 (0.42) SLC18A3CYP1A2OPRM1OPRK1OPRD1
SCHEMBL20087337 0.91 ADH1A (0.40) SLC18A3CYP1A2OPRM1OPRK1OPRD1
SCHEMBL24085914 0.86 ADH1A (0.40) SLC18A3OPRM1OPRK1OPRD1ADH1A
SCHEMBL21159067 0.86 SLC18A3 (0.37) SLC18A3OPRM1OPRK1OPRD1ADH1A
SCHEMBL26620832 0.84 ADH1A (0.36) SLC18A3OPRM1OPRK1OPRD1ADH1A
SCHEMBL20091645 0.80 SLC18A3 (0.41) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL17506598 0.78 ADH1A (0.35) SLC18A3OPRM1OPRK1OPRD1ADH1A
SCHEMBL27010684 0.78 ADH1A (0.32) SLC18A3ADH1AADH1C
SCHEMBL3373129 0.77 ADH1A (0.42) CYP1A2ADH1AADH1CSIGMAR1NAAA

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-7982064-B2 Method for preparing ortho-substituted aminoferrocenes BROCK UNIVERSITY (CA) 2011-07-19 US disclosed
US-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES BROCK UNIVERSITY (CA) 2010-06-03 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-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES LPO, AOC1, AOC2 SLC18A3 675/4885CYP1A2 1740/4885OPRM1 2407/4885

“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.