SCHEMBL628718

SCHEMBL628718

COC(=O)c1ccc(C=C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
UCHL1 P09936 2/20 0.46
USP30 Q70CQ3 1/20 0.46
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
STAT6 P42226 1/20 0.41
PTPN1 P18031 1/20 0.40
POLB P06746 1/20 0.40
GPR183 P32249 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL628716 1.00 NPC1 (0.48) NPC1UCHL1USP30RAB9ASMN1; SMN2
SCHEMBL628717 1.00 NPC1 (0.48) NPC1UCHL1USP30RAB9ASMN1; SMN2
SCHEMBL628715 1.00 NPC1 (0.48) NPC1UCHL1USP30RAB9ASMN1; SMN2
SCHEMBL5152176 0.89 NPC1 (0.47) NPC1UCHL1USP30LMNANPSR1
SCHEMBL5152168 0.89 NPC1 (0.47) NPC1UCHL1USP30LMNANPSR1
SCHEMBL28466920 0.86 MEN1 (0.43) NPC1UCHL1LMNANPSR1MEN1
SCHEMBL22852306 0.86 MEN1 (0.43) NPC1UCHL1LMNANPSR1MEN1
SCHEMBL31019026 0.86 MEN1 (0.43) NPC1UCHL1LMNANPSR1MEN1
SCHEMBL6012032 0.85 MEN1 (0.53) NPC1UCHL1LMNANPSR1MEN1
SCHEMBL3052925 0.85 MEN1 (0.53) NPC1UCHL1LMNANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885UCHL1 2679/4885USP30 1963/4885

“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.