SCHEMBL4181353

SCHEMBL4181353

COc1ccc([C@@H](C)N[C@H]2c3ncccc3CC[C@H]2CCCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
NPY1R P25929 4/20 0.34
SLC6A4 P31645 4/20 0.34
KCNH2 Q12809 2/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CXCR4 P61073 3/20 0.33
GAA P10253 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
AVPR1A P37288 1/20 0.32
AVPR1B P47901 1/20 0.32
ADORA2A P29274 1/20 0.32
UGCG Q16739 1/20 0.32
PDE2A O00408 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4170089 1.00 KDM1A (0.36) KDM1ANPY1RSLC6A4KCNH2ADRA1D
SCHEMBL5548255 1.00 KDM1A (0.36) KDM1ANPY1RSLC6A4KCNH2ADRA1D
SCHEMBL4175835 0.95 KDM1A (0.35) KDM1ANPY1RSLC6A4KCNH2CXCR4
SCHEMBL4178166 0.84 MAPT (0.38) NPY1RSLC6A4KCNH2GAAPDE2A
SCHEMBL4173715 0.84 MAPT (0.38) NPY1RSLC6A4KCNH2GAAPDE2A
SCHEMBL5547304 0.84 MAPT (0.38) NPY1RSLC6A4KCNH2GAAPDE2A
SCHEMBL13875174 0.78 HDAC1 (0.35) KCNH2CXCR4
SCHEMBL4887081 0.76 KDM1A (0.42) KDM1ANPY1RSLC6A4KCNH2CXCR4
SCHEMBL3083828 0.76 KDM1A (0.42) KDM1ANPY1RSLC6A4KCNH2CXCR4
SCHEMBL14566706 0.76 KDM1A (0.42) KDM1ANPY1RSLC6A4KCNH2CXCR4

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-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 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-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 KDM1A 3659/4885NPY1R 940/4885SLC6A4 317/4885

“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.