SCHEMBL19002044

SCHEMBL19002044

CCC(=O)c1ccc(N2CCC(C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.67
GAA P10253 5/20 0.62
MAPT P10636 4/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
MCL1 Q07820 1/20 0.49
GSK3B P49841 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 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
SCHEMBL18987371 0.87 USP2 (0.51) USP2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL28206551 0.84 USP2 (0.53) USP2SMN1; SMN2GAAMAPTGSK3B
SCHEMBL12828236 0.83 SMN1; SMN2 (0.51) USP2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL10505311 0.83 HTT (0.61) SMN1; SMN2GAAMAPTALDH1A1NPC1
SCHEMBL16564077 0.83 HTT (0.57) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL19002043 0.82 SMN1; SMN2 (0.50) USP2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL19002070 0.82 SMN1; SMN2 (0.50) USP2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL18987098 0.82 SMN1; SMN2 (0.50) USP2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1749891 0.81 USP2 (1.00) USP2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL2201934 0.81 HTT (0.64) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO 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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 USP2 4300/4885SMN1; SMN2 4817/4885GAA 790/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 USP2 4467/4885SMN1; SMN2 4400/4885GAA 1014/4885

“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.