SCHEMBL4855409

SCHEMBL4855409

COc1cc(Br)ccc1OC[C@H]1CCCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
MCHR1 Q99705 2/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CCR5 P51681 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL15300843 0.86 FPR3 (0.47) DRD2CHRNB4CHRNA3ALDH1A1MCHR1
SCHEMBL15300841 0.86 FPR3 (0.47) DRD2CHRNB4CHRNA3ALDH1A1MCHR1
SCHEMBL23457760 0.85 DRD2 (0.44) DRD2ALDH1A1DRD4DRD3KMT2A
SCHEMBL4534956 0.81 CHRNB4 (0.53) CHRNB4CHRNA3ALDH1A1MCHR1DRD4
SCHEMBL16468435 0.79 LTA4H (0.49) ALDH1A1DPP4
SCHEMBL3313710 0.78 CHRNB4 (0.44) CHRNB4CHRNA3ALDH1A1KMT2AMEN1
SCHEMBL3313944 0.78 CHRNB4 (0.44) CHRNB4CHRNA3ALDH1A1KMT2AMEN1
SCHEMBL4524496 0.78 CHRNB4 (0.49) CHRNB4CHRNA3ALDH1A1DRD4KMT2A
SCHEMBL4287265 0.78 KDM4E (0.45) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL14569577 0.76 DPP4 (0.54) CHRNB4CHRNA3ALDH1A1TDP1MCHR1

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 DRD2 4850/4885CHRNB4 4179/4885CHRNA3 4274/4885

“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.