SCHEMBL5138566

SCHEMBL5138566

C=CCN(N)C(=S)[N]C(=S)N(N)CC=C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL1170252 0.75
SCHEMBL1545383 0.75
SCHEMBL6846112 0.73
SCHEMBL10819044 0.70
SCHEMBL3799007 0.70
SCHEMBL7162619 0.67 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL4243340 0.65
SCHEMBL1627385 0.65
SCHEMBL2789418 0.65
SCHEMBL433690 0.63

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-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US claimed
EP-1896456-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP claimed
WO-2006134163-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO claimed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
EP-1896456-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006134163-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A ALDH1A1 848/4885TSHR 179/4885

“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.