SCHEMBL5221849

SCHEMBL5221849

CCc1nnc(NC(=O)N[C@@H]2CCCC[C@@H]2CN2CC(Oc3ccc(Cl)cc3)C2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
CCR3 P51677 6/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
ELANE P08246 1/20 0.41
CYP2D6 P10635 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
CCR1 P32246 1/20 0.41

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
SCHEMBL5222861 0.81 CCR3 (0.40) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5223189 0.81 CCR3 (0.42) MAPTCCR3ALDH1A1NPSR1LMNA
SCHEMBL5220601 0.81 CCR3 (0.48) MAPTCCR3ALDH1A1NPSR1LMNA
SCHEMBL5224109 0.80 LMNA (0.45) POLBRAB9AMAPTNPC1CCR3
SCHEMBL5332175 0.78 RAB9A (0.51) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL5225328 0.78 POLB (0.50) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL5223410 0.77 CCR1 (0.41) CCR3ALDH1A1KMT2ACCR1TDP1
SCHEMBL5221857 0.77 NTRK1 (0.45) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5223942 0.77 RAB9A (0.48) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL5338559 0.77 RAB9A (0.49) POLBRAB9AMAPTNPC1ALDH1A1

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
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 POLB 4260/4885RAB9A 814/4885MAPT 4418/4885

“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.