SCHEMBL7718355

SCHEMBL7718355

CC(C)(C)C1CN(c2nccnc2OCCOc2cccc(C=O)c2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.38
MAOB P27338 8/20 0.36
MAOA P21397 5/20 0.36
LIMK2 P53671 1/20 0.35
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL7718358 0.84 KDM4E (0.43) SMN1; SMN2
SCHEMBL6894962 0.83 MAOA (0.40) SLC6A7MAOBMAOANPC1RAB9A
SCHEMBL4011301 0.79 GPR119 (0.46) POLB
SCHEMBL4317802 0.74 MAOA (0.40) MAOBMAOANPC1RAB9ATDP1
SCHEMBL4317148 0.72 KDM4E (0.41) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4328938 0.72 PDGFRB (0.47) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4316239 0.69 GRM1 (0.36) LIMK2NPC1RAB9A
SCHEMBL4757742 0.68 ALDH1A1 (0.47) SLC6A7MAOBSMN1; SMN2
SCHEMBL14632808 0.68 MAPT (0.56) SLC6A7POLB
SCHEMBL28534918 0.67 ACACB (0.46) NPC1RAB9ASMN1; SMN2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103204-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-08-01 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-20020103204-A1 Novel compounds and their use HTR2C, HTR1A, HTR1B SLC6A7 535/4885MAOB 123/4885MAOA 146/4885

“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.