SCHEMBL21458077

SCHEMBL21458077

CC(C)CC(NC(=O)OCCc1ccccn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RECQL P46063 1/20 0.47
CTSK P43235 3/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MME P08473 2/20 0.44
MAPK1 P28482 1/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL3844143 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7250149 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2CTSKCTSS
SCHEMBL6583144 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2CTSKCTSS
SCHEMBL3840105 0.88 MEN1 (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
Lithium SCHEMBL7159425 0.88 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CTSKCTSS
SCHEMBL7159417 0.88 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CTSKCTSS
SCHEMBL9557811 0.85 GPR132 (0.54) MEN1NPC1RAB9AKMT2ACTSS
SCHEMBL30128602 0.82 FNTA (0.49) SMN1; SMN2FNTAFNTBPGGT1BGRN
SCHEMBL3842542 0.82 CTSK (0.43) CTSKGRNSORT1MMEMAPK1
SCHEMBL30128603 0.82 CTSK (0.43) CTSKGRNSORT1MMEMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder OSAKA CITY UNIVERSITY (JP) 2023-12-19 US disclosed
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER OSAKA CITY UNIVERSITY (JP) 2019-10-17 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-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER PMP22, PRPH, NGF MEN1 2693/4885NPC1 3136/4885RAB9A 2276/4885
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder PMP22, PRPH, NGF MEN1 2693/4885NPC1 3136/4885RAB9A 2276/4885

“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.