SCHEMBL99323

SCHEMBL99323

CN(C)CCN(C)C(=O)C1CCCC[C@@H]1C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL18566580 1.00 ADORA1 (0.36) ADORA1SIGMAR1CTSBCTSSCTSK
SCHEMBL47599 1.00 ADORA1 (0.36) ADORA1SIGMAR1CTSBCTSSCTSK
SCHEMBL47603 1.00 ADORA1 (0.36) ADORA1SIGMAR1CTSBCTSSCTSK
SCHEMBL47607 0.91 SIGMAR1 (0.40) ADORA1SIGMAR1CTSBCTSSCTSK
SCHEMBL47637 0.91 SIGMAR1 (0.40) ADORA1SIGMAR1CTSBCTSSCTSK
SCHEMBL47642 0.86 KMT2A (0.35) ADORA1SIGMAR1CTSBCTSSCTSK
SCHEMBL47611 0.86 KMT2A (0.35) ADORA1SIGMAR1CTSBCTSSCTSK
SCHEMBL47614 0.86 CTSB (0.34) CTSBCTSSCTSK
SCHEMBL47620 0.86 CTSB (0.34) CTSBCTSSCTSK
SCHEMBL18780914 0.84 ADORA1 (0.35) ADORA1SIGMAR1CTSBCTSSCTSK

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-20120058084-A1 Interferon Alpha Carrier Prodrugs ASCENDIS PHARMA AS (DK) 2012-03-08 — — 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-20120058084-A1 Interferon Alpha Carrier Prodrugs IFNG, IFNAR1, IRF3 ADORA1 884/4885SIGMAR1 157/4885CTSB 496/4885

“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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