SCHEMBL3976441

SCHEMBL3976441

CC(c1ccccc1)N1C[C@@H](C)[C@@](C)(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.42
OPRL1 P41146 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MC4R P32245 1/20 0.41
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A9 P48067 1/20 0.37
DRD4 P21917 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36

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
SCHEMBL4182073 0.86 CYP2D6 (0.45) CYP2D6KMT2AOPRL1OPRM1OPRD1
SCHEMBL4187954 0.86 CYP2D6 (0.45) CYP2D6KMT2AOPRL1OPRM1OPRD1
SCHEMBL4188990 0.84 CYP2D6 (0.44) CYP2D6KMT2AOPRL1OPRM1OPRD1
SCHEMBL3979332 0.82 CYP2D6 (0.41) CYP2D6KMT2AOPRL1OPRM1OPRD1
SCHEMBL3974427 0.82 OPRL1 (0.45) KMT2AOPRL1OPRM1OPRD1OPRK1
SCHEMBL3975405 0.76 GRIN2B (0.44) CYP2D6OPRK1
SCHEMBL6007971 0.74 CYP2D6 (0.45) CYP2D6KMT2AOPRL1OPRM1OPRD1
SCHEMBL14310706 0.74 CYP2D6 (0.39) CYP2D6KMT2AOPRL1OPRM1OPRD1
SCHEMBL10565433 0.73 CYP2D6 (0.55) CYP2D6KMT2AOPRL1OPRM1OPRD1
SCHEMBL14319753 0.73 KMT2A (0.47) CYP2D6KMT2AOPRK1ALDH1A1GAA

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 CYP2D6 895/4885KMT2A 2638/4885OPRL1 354/4885

“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.