SCHEMBL5605820

SCHEMBL5605820

COCCN1CCN(C(=O)CCCC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
GLA P06280 1/20 0.42
DRD3 P35462 1/20 0.42
HTR4 Q13639 2/20 0.41
NPC1 O15118 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 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
SCHEMBL15759107 0.86 L3MBTL1 (0.50) HSD11B1PDE3BPDE3AHTR1AHTR7
SCHEMBL11928135 0.84 L3MBTL1 (0.57) HSD11B1PDE3BPDE3ADRD3HTR4
SCHEMBL26511515 0.83 GNAI3 (0.56) HSD11B1HTR4
SCHEMBL5605766 0.82 L3MBTL1 (0.49) ALDH1A1HTR1AHTR7ATMSMN1; SMN2
SCHEMBL11923454 0.82 HSD11B1 (0.45) HSD11B1PDE3BPDE3AHTR1AHTR7
SCHEMBL11106 0.81 HSD11B1 (0.44) HSD11B1PDE3BPDE3AHTR1AHTR7
SCHEMBL16353682 0.80 TSHR (0.55) HSD11B1ALDH1A1HTR1AHTR7ATM
SCHEMBL12395531 0.78 DRD3 (0.61) HSD11B1ALDH1A1PDE3BPDE3APOLB
SCHEMBL5605768 0.78 HSD11B1 (0.53) HSD11B1ALDH1A1HTR1AHTR7ATM
SCHEMBL9029279 0.78 HTR1A (0.43) HSD11B1PDE3BPDE3AHTR1AHTR7

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-7166594-B2 Antibacterial activity AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 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-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH HSD11B1 530/4885ALDH1A1 4296/4885PDE3B 1711/4885

“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.