SCHEMBL5222998

SCHEMBL5222998

CCn1nnc(NC(=O)NC(C)(C)CCN2CC(Oc3ccc(Cl)cc3)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPK1 P28482 3/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
TP53 P04637 3/20 0.41
HTT P42858 1/20 0.40
BRD4 O60885 1/20 0.38
MAPT P10636 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
SCHEMBL5218916 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10L3MBTL1ESR1POLB
SCHEMBL5225328 0.79 POLB (0.50) ALDH1A1HSD17B10POLBLMNAKMT2A
SCHEMBL5223671 0.78 CYP3A4 (0.48) ESR1POLBKMT2AMEN1MAPT
SCHEMBL5224109 0.78 LMNA (0.45) ALDH1A1HSD17B10L3MBTL1ESR1POLB
SCHEMBL5222441 0.77 CSF1R (0.39) LMNAKMT2AMEN1HTTMAPT
SCHEMBL5222098 0.77 MAPT (0.39) ESR1LMNAKMT2AMEN1MAPT
SCHEMBL5222409 0.77 CYP3A4 (0.44) ESR1POLBKMT2AMEN1MAPT
SCHEMBL5218302 0.72 ALPG (0.38)
SCHEMBL5222212 0.67 SLC6A4 (0.40) ESR1ESR2KMT2AMEN1NPC1
SCHEMBL6929073 0.66 HRH3 (0.49) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US claimed
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 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-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 ALDH1A1 1419/4885HSD17B10 4493/4885L3MBTL1 4509/4885

“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.