SCHEMBL3975402

SCHEMBL3975402

COC(=O)[C@@]1(C)CN(C(=O)OCc2ccccc2)C[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.47
RORC P51449 2/20 0.46
HTR2C P28335 2/20 0.46
CYP2C19 P33261 1/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL10306092 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL3976530 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL10306087 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL4181131 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL4174279 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL4174274 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL30069347 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTHTR2C
SCHEMBL3975896 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL10306096 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTRORC
SCHEMBL13769237 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTRORC

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-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L SMN1; SMN2 4631/4885NPC1 4101/4885RAB9A 439/4885

“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.