SCHEMBL4020631

SCHEMBL4020631

O=C(C1C2CCN1CC2)C1C2CCN1CC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.34
CHRM2 P08172 3/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM1 P11229 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
SCHEMBL1616764 0.81 SLC18A3 (0.33) SLC18A3
Hydrochloric Acid SCHEMBL1617127 0.79 ALDH1A1 (0.32) SLC18A3
SCHEMBL2148090 0.74 ALDH1A1 (0.37) SLC18A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6607826 0.72 ALDH1A1 (0.40) SLC18A3MEN1CYP2D6KMT2A
SCHEMBL6120938 0.72 SLC18A3 (0.34) SLC18A3
SCHEMBL1891737 0.72 SLC18A3 (0.34) SLC18A3MEN1KMT2A
SCHEMBL1615657 0.69 MAPT (0.45) MEN1CYP2D6KMT2ACHRM1
SCHEMBL4448770 0.68 DPP4 (0.30)
SCHEMBL10379765 0.67
SCHEMBL2148202 0.67 ALDH1A1 (0.39) MEN1KMT2A

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 SLC18A3 2628/4885CHRM2 3465/4885MEN1 77/4885

“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.