SCHEMBL4946467

SCHEMBL4946467

O=C(O)c1cnc(OC2CCCCC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 6/20 0.48
▸ CNR1 P21554 4/20 0.46
▸ KMO O15229 4/20 0.44
▸ SCN9A Q15858 2/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ EGLN1 Q9GZT9 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
SCHEMBL14089846 0.99 IP6K1 (0.49) IP6K1CNR1KMOSCN9ASCN5A
SCHEMBL15350525 0.78 KMT2A (0.41) IP6K1CNR1SCN9ASCN5AACACB
SCHEMBL412178 0.78 KMT2A (0.50) IP6K1CNR1
SCHEMBL11471405 0.78 CNR1 (0.47) IP6K1CNR1KMOSCN9ACNR2
SCHEMBL14784457 0.77 CA2 (0.47) IP6K1CNR1SCN9ASCN5A
SCHEMBL20021958 0.77 CNR1 (0.54) CNR1CNR2
SCHEMBL411076 0.77 CNR1 (0.67) CNR1CNR2
SCHEMBL11463519 0.77 IP6K1 (0.46) IP6K1CNR1KMOSCN9ASCN5A
SCHEMBL72986 0.76 KMT2A (0.54) —
SCHEMBL16858602 0.76 HDAC3 (0.39) IP6K1CNR1SCN9ASCN5ACNR2

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-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 45/4885KMO 1360/4885

“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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