SCHEMBL18549890

SCHEMBL18549890

CCOC(=O)CCCN1CCc2nc(Cl)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
▸ LMNA P02545 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TNF P01375 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL18549994 0.86 PDCD1 (0.49) PDCD1CD274LMNAMAPTTP53
SCHEMBL18550092 0.81 PDCD1 (0.44) PDCD1CD274LMNAMAPTTP53
SCHEMBL18550471 0.81 MAPT (0.41) PDCD1CD274LMNAMAPTTP53
SCHEMBL18549803 0.81 PDCD1 (0.38) PDCD1CD274LMNAMAPTTP53
SCHEMBL18550050 0.79 MAPT (0.42) PDCD1CD274LMNAMAPTTP53
SCHEMBL18586873 0.79 MAPT (0.42) PDCD1CD274LMNAMAPTTP53
SCHEMBL18549775 0.79 PDCD1 (0.39) PDCD1CD274FYNTNFHSP90AA1
SCHEMBL18550237 0.76 PDCD1 (0.42) PDCD1CD274LMNAMAPTTP53
SCHEMBL18549937 0.75 CD274 (0.46) PDCD1CD274MAPTTNFMEN1
SCHEMBL18550072 0.74 PDCD1 (0.51) PDCD1CD274LMNAMAPTHSP90AA1

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 7 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-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 — — EP disclosed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 — — WO disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — US disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — 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 3703/4885LMNA 2307/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885LMNA 2307/4885

“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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