SCHEMBL19961306

SCHEMBL19961306

O=C(/C=C/c1ccccc1)N1CCC(c2ccccn2)C1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.69
NPC1 O15118 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
MAPT P10636 3/20 0.69
HPGD P15428 1/20 0.69
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD11B1 P28845 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
SPR P35270 1/20 0.50
USP30 Q70CQ3 1/20 0.49
KDM5A P29375 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL19961309 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2806341 0.82 HSD11B1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL19961352 0.81 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL19961344 0.80 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL29640084 0.78 HSD11B1 (0.59) HSD11B1SPRUSP30KDM5APOLB
SCHEMBL19961326 0.78 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL19961308 0.78 ALDH1A1 (0.67) RAB9AALDH1A1HSD11B1LMNASPR
SCHEMBL4074303 0.76 HSD11B1 (0.53) HSD11B1SPRUSP30KDM5A
SCHEMBL19961318 0.76 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL7301194 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTHPGD

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-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NOVALEX THERAPEUTICS INC (US) 2018-03-15 US disclosed
US-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NOVALEX THERAPEUTICS INC (US) 2018-03-15 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-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY FAR1, TECR, ECI1 RAB9A 1863/4885NPC1 210/4885SMN1; SMN2 1359/4885

“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.