SCHEMBL14089846

SCHEMBL14089846

O=C(O)c1cnc(OC2CCCC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 6/20 0.49
▸ CNR1 P21554 4/20 0.45
▸ SCN9A Q15858 2/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ KMO O15229 4/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL4946467 0.99 IP6K1 (0.48) IP6K1CNR1SCN9ASCN5ADPP4
SCHEMBL412178 0.79 KMT2A (0.50) IP6K1CNR1KMT2AHCAR2
SCHEMBL15350525 0.79 KMT2A (0.41) IP6K1CNR1SCN9ASCN5AACACB
SCHEMBL14784457 0.78 CA2 (0.47) IP6K1CNR1SCN9ASCN5AKMT2A
SCHEMBL20021958 0.78 CNR1 (0.54) CNR1CNR2
SCHEMBL411076 0.78 CNR1 (0.67) CNR1CNR2
SCHEMBL11463519 0.78 IP6K1 (0.46) IP6K1CNR1SCN9ASCN5AKMO
SCHEMBL72986 0.77 KMT2A (0.54) KMT2A
SCHEMBL2701812 0.77 CNR1 (0.72) IP6K1CNR1CNR2KMT2A
SCHEMBL11471405 0.77 CNR1 (0.47) IP6K1CNR1SCN9AKMOCNR2

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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 — — US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 — — 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 IP6K1 578/4885CNR1 45/4885SCN9A 2846/4885

“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.

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