SCHEMBL2383494

SCHEMBL2383494

CCCc1ccc2c(c1)CCc1c(C[C@](CCCNC(=O)OC(C)(C)C)(CC(C)N3CCCC3)C(=O)Oc3ccccc3)ncn1-2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.32
BCHE P06276 5/20 0.32
ACHE P22303 5/20 0.32
SIGMAR1 Q99720 1/20 0.31
ACE P12821 1/20 0.31
UTS2R Q9UKP6 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
SCHEMBL2234784 0.92 BCHE (0.32) DRD2BCHEACHEACE
SCHEMBL2232584 0.91 DRD2 (0.33) DRD2BCHEACHEACEUTS2R
SCHEMBL2235746 0.91 DRD2 (0.34) DRD2BCHEACHEACEUTS2R
SCHEMBL2236732 0.91 ACE (0.38) DRD2BCHEACHEACEUTS2R
SCHEMBL2237504 0.91 ACE (0.38) DRD2BCHEACHEACEUTS2R
SCHEMBL2235860 0.89 PDK1 (0.32) DRD2BCHEACHEACEUTS2R
SCHEMBL2233936 0.88 NPC1L1 (0.36) DRD2BCHEACHEACE
SCHEMBL2238062 0.76 MEN1 (0.41) SIGMAR1ACE
SCHEMBL2237182 0.76 MEN1 (0.41) SIGMAR1ACE
SCHEMBL2235104 0.74 ACE (0.41) DRD2SIGMAR1ACE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 DRD2 3857/4885BCHE 527/4885ACHE 434/4885

“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.