SCHEMBL3742895

SCHEMBL3742895

CC1(S(=O)(=O)N[C@H]2CCCCNC2=O)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.56
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.39
MMP1 P03956 5/20 0.39
MMP3 P08254 2/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP8 P22894 1/20 0.39
NPC1 O15118 1/20 0.37

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
SCHEMBL3748739 0.74 CCR2 (0.50) CCR2HTTRAB9AMMP1
SCHEMBL3742893 0.73 CCR2 (0.34) CCR2
SCHEMBL13483780 0.73 CCR2 (0.55) CCR2HTTRAB9ANPC1
SCHEMBL12799205 0.73 CCR2 (0.55) CCR2HTTRAB9ANPC1
SCHEMBL13006180 0.71 CCR2 (1.00) CCR2RAB9ANPC1
SCHEMBL242474 0.71 CCR2 (1.00) CCR2RAB9ANPC1
SCHEMBL12061277 0.71 CCR2 (1.00) CCR2RAB9ANPC1
SCHEMBL13761535 0.70 CCR2 (0.63) CCR2HTTRAB9A
SCHEMBL7751169 0.70 CCR2 (0.63) CCR2HTTRAB9A
SCHEMBL12061252 0.70 CCR2 (0.97) CCR2RAB9ANPC1

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-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US claimed
US-20100292213-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-11-18 US claimed

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-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 CCR2 121/4885HTT 3616/4885RAB9A 2291/4885

“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.