SCHEMBL3453404

SCHEMBL3453404

ClC1=C(\Cl)CCCC/C=C\1.[Rh]

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3453406 1.00 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4063697 0.98 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4063689 0.98 ALDH1A1 (0.37) ALDH1A1
SCHEMBL30418037 0.95 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2898862 0.95 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3778455 0.95 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3778451 0.95 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2511411 0.95 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2511413 0.95 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3023676 0.95 ALDH1A1 (0.36) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820666-B2 Tetrahydrotriazolopyrazine derivatives and uses thereof CONCERT PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
WO-2008141021-A1 DEUTERATED DERIVATIVES OF TETRAHYDROTRIAZOLOPYRAZINE COMPOUNDS AND THEIR USE AS DPP-IV INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
US-20080280913-A1 TETRAHYDROTRIAZOLOPYRAZINE DERIVATIVES AND USES THEREOF CONCERT PHARMACEUTICALS, INC. 2008-11-13 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 (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-20080280913-A1 TETRAHYDROTRIAZOLOPYRAZINE DERIVATIVES AND USES THEREOF DPP4, DPP3, DPP7 ALDH1A1 1133/4885

“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.