SCHEMBL5034033

SCHEMBL5034033

[CH2]C(=O)NC1CCC(NC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.39
EPHX2 P34913 3/20 0.35
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
PKM P14618 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
HSD11B1 P28845 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 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
SCHEMBL423969 0.82
SCHEMBL21452456 0.81 ATM (0.44) EPHX1EPHX2MMP2MMP8PKM
SCHEMBL21452290 0.81 ATM (0.44) EPHX1EPHX2MMP2MMP8PKM
SCHEMBL12928802 0.81 ATM (0.44) EPHX1EPHX2MMP2MMP8PKM
SCHEMBL1700015 0.81 EPHX1 (0.40) EPHX1EPHX2MMP2MMP8PKM
SCHEMBL1176978 0.79 EPHX1 (0.61) EPHX1EPHX2MMP2MMP8PKM
SCHEMBL20687474 0.76
SCHEMBL4153538 0.76
SCHEMBL10198836 0.76
SCHEMBL5027176 0.75 HSD11B1 (0.41) EPHX1HSD11B1SMN1; SMN2

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-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 EPHX1 2141/4885EPHX2 2676/4885MMP2 132/4885

“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.