SCHEMBL20312912

SCHEMBL20312912

CCCC(C)C1CCN(C(=O)OC)CC1(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 5/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
EPHX1 P07099 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
TSHR P16473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
USP2 O75604 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD4 O60885 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
SCHEMBL20312244 0.83 CYP2C9 (0.40) CYP2D6CYP1A2CYP2C9ALDH1A1EPHX1
SCHEMBL22369248 0.74 EPHX1 (0.39) CYP2D6CYP1A2CYP2C9ALDH1A1EPHX1
SCHEMBL22971692 0.70 CYP2C9 (0.37) CYP2D6CYP1A2CYP2C9ALDH1A1DPP4
SCHEMBL11990216 0.67 CYP2D6 (0.44) CYP2D6CYP1A2CYP2C9EPHX1THRB
SCHEMBL19185028 0.66 GAA (0.51) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL16766758 0.66 CDC25A (0.38) NR1H4
SCHEMBL12439392 0.66 CHRNB2 (0.42) CYP2D6CYP1A2CYP2C9ALDH1A1EPHX1
SCHEMBL13709104 0.65 EPHX1 (0.33) CYP2D6CYP1A2CYP2C9ALDH1A1DPP8
SCHEMBL2603248 0.65 CYP1A2 (0.45) CYP2D6CYP1A2CYP2C9ALDH1A1EPHX1
SCHEMBL23714589 0.63 EPHX1 (0.41) CYP2D6CYP1A2CYP2C9ALDH1A1EPHX1

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-10202390-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-12 US disclosed
US-20180179213-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-06-28 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 (2 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-10202390-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 CYP2D6 2331/4885CYP1A2 2119/4885CYP2C9 2574/4885
US-20180179213-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 CYP2D6 2331/4885CYP1A2 2119/4885CYP2C9 2574/4885

“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.