SCHEMBL14877484

SCHEMBL14877484

CC(=O)C(=O)NC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
MAPT P10636 3/20 0.68
MAPK1 P28482 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
EPHX1 P07099 7/20 0.54
EPHX2 P34913 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL4191605 0.98 NPC1 (0.73) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL3753914 0.90
SCHEMBL6850969 0.84 SMN1; SMN2 (0.94) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL221844 0.83 NPC1 (0.73) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL23736058 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL2377367 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL8165938 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL3076504 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL13589526 0.81 EPHX2 (0.60) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL6436067 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPTMAPK1

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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
US-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 SMN1; SMN2 2034/4885NPC1 95/4885RAB9A 1369/4885

“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.