SCHEMBL3182760

SCHEMBL3182760

C[C@@H](NC(=O)O)[C@@H]1COC(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.34
HCRTR1 O43613 10/20 0.34
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
CA2 P00918 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9995950 0.79 CA2 (0.33) HCRTR2HCRTR1CXCR1CXCR2CA2
SCHEMBL9995998 0.79 CA2 (0.33) HCRTR2HCRTR1CXCR1CXCR2CA2
SCHEMBL4264474 0.79 CA2 (0.33) HCRTR2HCRTR1CXCR1CXCR2CA2
SCHEMBL4062962 0.79 CA2 (0.33) HCRTR2HCRTR1CXCR1CXCR2CA2
SCHEMBL13528024 0.79 HCRTR2 (0.40) HCRTR2HCRTR1CA2
SCHEMBL25387433 0.77 HCRTR1 (0.35) HCRTR2HCRTR1CA2
SCHEMBL346996 0.77 HCRTR1 (0.35) HCRTR2HCRTR1CA2
SCHEMBL18682065 0.77 HCRTR1 (0.35) HCRTR2HCRTR1CA2
SCHEMBL5338406 0.77 HCRTR2 (0.33) HCRTR2HCRTR1CA2
SCHEMBL8169843 0.77 HCRTR1 (0.35) HCRTR2HCRTR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 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 (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-20100016275-A1 NOVEL COMPOUND 395 CCL5, CCL2, CCL11 HCRTR2 2344/4885HCRTR1 1886/4885CXCR1 7/4885

“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.