SCHEMBL3548163

SCHEMBL3548163

CCC1C(C(=O)O)C(O)CCN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.57
MAPT P10636 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL1545232 0.82 GBA1 (0.50) GBA1SIGMAR1ABL1RIN1OPRD1
SCHEMBL1535090 0.78 GBA1 (0.59) GBA1MAPT
SCHEMBL19281632 0.78 MAPT (0.51) MAPT
SCHEMBL20659898 0.78 S1PR5 (0.44) MAPT
SCHEMBL17631636 0.78 MAPT (0.51) MAPT
SCHEMBL3545125 0.78 GBA1 (0.42) GBA1SIGMAR1OPRD1
SCHEMBL5839370 0.76 DRD2 (0.40) MAPT
SCHEMBL18922664 0.75 GBA1 (0.82) GBA1MAPT
SCHEMBL22554885 0.75 GBA1 (0.82) GBA1MAPT
SCHEMBL21403832 0.75 GBA1 (0.82) GBA1MAPT

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-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS GBA1 3817/4885MAPT 1460/4885SIGMAR1 51/4885

“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.