SCHEMBL3489753

SCHEMBL3489753

CC(C)(C)OC(=O)NC1(c2nc3ccccc3n2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.43
OPRD1 P41143 3/20 0.42
OPRK1 P41145 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
OPRM1 P35372 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
ADAM17 P78536 1/20 0.40
GBA1 P04062 1/20 0.40
CYP11B2 P19099 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
BACE1 P56817 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL3491256 0.86 CCR5 (0.44) CCR5OPRD1OPRK1CHRM2CHRM4
SCHEMBL3491263 0.80 TSHR (0.41) CCR5TSHRALOX15ATMADAM17
SCHEMBL3491255 0.78 CCR5 (0.42) CCR5OPRD1OPRK1CHRM2CHRM4
SCHEMBL3490376 0.78 BCHE (0.45) TSHRALOX15ATMGBA1CYP11B2
SCHEMBL3489360 0.74 JAK2 (0.42) OPRD1OPRK1TSHRALOX15ADAM17
SCHEMBL3489463 0.73 JAK2 (0.40) ATMCYP11B2GPR119
SCHEMBL28680201 0.73 TSHR (0.50) OPRD1OPRM1OGFRL1TSHRCNR2
SCHEMBL5874035 0.72 GPR119 (0.45) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL6997081 0.72 ALDH1A1 (0.52) OPRD1CHRM2CHRM4CHRM1CHRM3
SCHEMBL16936414 0.72 MEN1 (0.51) TSHRALOX15ATMCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A CCR5 2512/4885OPRD1 263/4885OPRK1 153/4885

“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.