SCHEMBL18550243

SCHEMBL18550243

CCOC(=O)C(C)N1CCc2nc(-c3ccc(O)cc3)ncc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.47
▸ CD274 Q9NZQ7 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSP90AA1 P07900 7/20 0.39
▸ HSP90B1 P14625 5/20 0.39
▸ OGA O60502 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18549818 0.87 S1PR5 (0.50) PDCD1CD274NPSR1LMNA
SCHEMBL18550227 0.85 PDCD1 (0.45) PDCD1CD274NPSR1ALDH1A1LMNA
SCHEMBL18550072 0.81 PDCD1 (0.51) PDCD1CD274HSP90AA1HSP90B1OGA
SCHEMBL18549972 0.80 CD274 (0.43) PDCD1CD274NPSR1ALDH1A1MAPT
SCHEMBL18549879 0.80 KCNJ1 (0.39) PDCD1CD274NPSR1HSP90AA1HSP90B1
SCHEMBL18550184 0.77 LMNA (0.43) HSP90AA1HSP90B1MAPTLMNATP53
SCHEMBL18550433 0.77 S1PR5 (0.53) PDCD1CD274
SCHEMBL18549837 0.76 S1PR5 (0.56) LMNA
SCHEMBL28745128 0.75 S1PR5 (0.48) MAPTLMNATP53
SCHEMBL18550378 0.74 S1PR5 (0.52) PDCD1CD274ALDH1A1MAPTNPC1

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-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — 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 (2 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-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885NPSR1 199/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885NPSR1 199/4885

“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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