SCHEMBL4613035

SCHEMBL4613035

N#CC1(C2(C(N)=O)CCCCC2CO)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4614165 0.88 TDP1 (0.32) —
SCHEMBL4613542 0.74 CTSK (0.43) —
SCHEMBL4613581 0.74 CTSK (0.39) —
SCHEMBL4584329 0.67 HRH3 (0.40) —
SCHEMBL1705821 0.67 ALDH1A1 (0.36) —
SCHEMBL3234017 0.65 ALDH1A1 (0.39) —
SCHEMBL16638026 0.59 KDM4E (0.32) —
SCHEMBL10268180 0.58 SLC6A4 (0.34) —
SCHEMBL6496540 0.58 ALDH1A1 (0.39) —
SCHEMBL3388703 0.58 SLC6A4 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371747-B2 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-05-13 — — US disclosed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 — — EP disclosed
EP-1446115-A4 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-02-02 — — EP disclosed
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA LTD. (CA) 2005-01-20 — — US disclosed
EP-1446115-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-08-18 — — EP disclosed
WO-2003041649-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-05-22 — — 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-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors CTSB, CTSK, CTSS DPP4 348/4885TSHR 4487/4885

“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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