SCHEMBL18550237

SCHEMBL18550237

CCOC(=O)CCCN1CCc2nc(C#Cc3cc(F)ccc3F)ncc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.42
▸ GRM5 P41594 2/20 0.41
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 6/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ GRM4 Q14833 1/20 0.33

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
SCHEMBL18550081 0.88 S1PR5 (0.40) GRM5POLBLMNAMAPTTP53
SCHEMBL18549890 0.76 PDCD1 (0.47) PDCD1CD274POLBLMNAMAPT
SCHEMBL18550092 0.72 PDCD1 (0.44) PDCD1CD274LMNAMAPTTP53
SCHEMBL18550453 0.70 GRM5 (0.44) GRM5LMNAMAPTTP53HTR1A
SCHEMBL18549853 0.68 S1PR5 (0.51) PDCD1CD274MAPTTP53
SCHEMBL18550134 0.68 PDCD1 (0.47) PDCD1CD274
SCHEMBL18549937 0.67 CD274 (0.46) PDCD1CD274MAPTHTR1ADRD2
SCHEMBL18549886 0.63 S1PR5 (0.53) PDCD1CD274LMNAMAPT
SCHEMBL18549994 0.63 PDCD1 (0.49) PDCD1CD274POLBLMNAMAPT
Hydrochloric Acid SCHEMBL29852300 0.63 PDCD1 (0.51) PDCD1CD274MAPTHTR1AHTR2A

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 4 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
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

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 3703/4885GRM5 368/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885GRM5 368/4885

“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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