SCHEMBL14801604

SCHEMBL14801604

CC(C)(C)N(CC1(CN)CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A2 P23975 1/20 0.32

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
SCHEMBL17352436 0.84 SLC6A2 (0.30) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1979673 0.83 MEN1 (0.30) —
SCHEMBL29155913 0.80 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1508965 0.77 MEN1 (0.31) SLC6A2
SCHEMBL1964999 0.76 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1982449 0.76 — —
SCHEMBL1981202 0.73 — —
SCHEMBL28589953 0.73 — —
SCHEMBL1983634 0.72 — —
SCHEMBL927689 0.71 — —

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-20150368267-A1 MACROCYCLIC COMPOUNDS AS HCV ENTRY INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-24 — — US disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 — — US disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — 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 (2 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-20150368267-A1 MACROCYCLIC COMPOUNDS AS HCV ENTRY INHIBITORS SLC10A1, HAVCR2, NPC1 USP2 4456/4885ALDH1A1 1311/4885LMNA 4146/4885
US-20130078214-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS USP2 3451/4885ALDH1A1 253/4885LMNA 3006/4885

“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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