SCHEMBL6628288

SCHEMBL6628288

N=CCCCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ SIGMAR1 Q99720 4/20 0.43
▸ SLC18A3 Q16572 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ PHF8 Q9UPP1 1/20 0.30
▸ KDM2A Q9Y2K7 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
SCHEMBL14434683 0.95 — —
SCHEMBL29012367 0.82 CYP1A2 (0.42) CYP1A2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL13673452 0.79 HRH3 (0.39) —
SCHEMBL6033221 0.75 CYP1A2 (0.46) CYP1A2SIGMAR1SLC18A3CHRM5EPHX1
SCHEMBL8231811 0.75 CYP1A2 (0.52) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL2076622 0.75 CYP1A2 (0.46) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL9242305 0.75 CYP1A2 (0.52) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL7078699 0.75 CYP1A2 (0.46) CYP1A2SIGMAR1SLC18A3EPHX1
SCHEMBL5148005 0.75 CYP1A2 (0.58) CYP1A2SIGMAR1EPHX1
SCHEMBL21558940 0.75 SIGMAR1 (0.36) CYP1A2SIGMAR1GPR84

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
EP-1377970-A1 OPTICAL DATA CARRIER CONTAINING A CYCLIZABLE COMPOUND IN THE INFORMATION LAYER Bayer Chemicals AG (DE) 2004-01-07 — — EP disclosed
US-20020197561-A1 Optical data carrier comprising a cyclizable compound in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2002-12-26 — — US disclosed
WO-2002080163-A1 OPTICAL DATA CARRIER CONTAINING A CYCLIZABLE COMPOUND IN THE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 — — WO 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CYP1A2 1299/4885SIGMAR1 3848/4885SLC18A3 4868/4885

“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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