SCHEMBL8374989

SCHEMBL8374989

CCNC(=O)OCC1(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 1/20 0.35
▸ ACHE P22303 7/20 0.34

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
SCHEMBL7826722 0.74 GAA (0.36) ALDH1A1SMN1; SMN2TSHRACHE
SCHEMBL17032828 0.74 ACACB (0.38) ALDH1A1TSHR
SCHEMBL15487498 0.73 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL13804483 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CHRNB2CHRNB4
SCHEMBL15487500 0.72 — —
SCHEMBL13003494 0.72 — —
SCHEMBL12705012 0.71 — —
SCHEMBL8374728 0.71 EPHX1 (0.41) ALDH1A1KMT2AMEN1CHRNB2CHRNB4
SCHEMBL16674069 0.71 ACHE (0.60) ALDH1A1KMT2AMEN1CHRNB2CHRNB4
SCHEMBL149187 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — 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 (3 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ALDH1A1 3864/4885KMT2A 4411/4885MEN1 3909/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ ALDH1A1 3464/4885KMT2A 3526/4885MEN1 4760/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS ALDH1A1 4217/4885KMT2A 4324/4885MEN1 3911/4885

“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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