SCHEMBL17429485

SCHEMBL17429485

CCCCCCCCCCCC(=O)OCn1cncc1C[C@H](NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 6/20 0.58

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
SCHEMBL10087854 0.94 TRHR (0.61) TRHR
SCHEMBL9719678 0.82 TRHR (0.71) TRHR
SCHEMBL17471543 0.82 TRHR (0.71) TRHR
SCHEMBL11925276 0.82 TRHR (0.70) TRHR
SCHEMBL17429486 0.80 TRHR (0.74) TRHR
SCHEMBL14028672 0.79 TRHR (0.66) TRHR
SCHEMBL4956855 0.78 TRHR (0.66) TRHR
SCHEMBL7417306 0.77 TRHR (0.64) TRHR
SCHEMBL11327973 0.75 TRHR (0.66) TRHR
Protirelin SCHEMBL33419 0.74 TRHR (1.00) TRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 — — US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 — — 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-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 TRHR 1939/4885

“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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