SCHEMBL1080106

SCHEMBL1080106

CC1(C(=O)NC2CCCNC(=O)C2)CCCC[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.41
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1062408 1.00 CCR2 (0.41) CCR2HPGDALDH1A1MAPTKMT2A
SCHEMBL1080974 0.82 CCR2 (0.58) CCR2HPGDALDH1A1MAPTKMT2A
SCHEMBL1062410 0.77 CCR2 (0.70) CCR2
SCHEMBL1080108 0.77 CCR2 (0.70) CCR2
SCHEMBL3318233 0.76 HPGD (0.37) CCR2HPGDALDH1A1TSHRPOLB
SCHEMBL8312942 0.73 ALDH1A1 (0.42) CCR2ALDH1A1KDM4E
SCHEMBL9162699 0.73 ALDH1A1 (0.42) CCR2ALDH1A1KDM4E
SCHEMBL4639716 0.73 CCR2 (0.36) CCR2
SCHEMBL5172985 0.72 ALOX15 (0.44) CCR2KMT2APOLB
SCHEMBL3316845 0.72 ALOX15 (0.44) CCR2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896036-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-01-23 EP disclosed
US-8076323-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-13 US disclosed
US-20110003792-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-01-06 US disclosed
US-7803794-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-09-28 US disclosed
US-20100016286-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-01-21 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-20100016286-A1 Anti-Inflammatory Agents TNF, LTC4S, IL6 CCR2 54/4885HPGD 846/4885ALDH1A1 1034/4885
US-20110003792-A1 ANTI-INFLAMMATORY AGENTS TNF, LTC4S, PTGS1 CCR2 45/4885HPGD 766/4885ALDH1A1 765/4885

“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.