SCHEMBL6491852

SCHEMBL6491852

O=C1CC(N2CCCCC2=O)CCN1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
ACHE P22303 1/20 0.49
LTA4H P09960 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
CYP2D6 P10635 1/20 0.47
HRH1 P35367 1/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KCNH2 Q12809 1/20 0.42
MT-CO2 P00403 1/20 0.41
ALOX5 P09917 1/20 0.41
FKBP1A P62942 2/20 0.41
DPP4 P27487 2/20 0.41
APP P05067 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 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
SCHEMBL6495673 0.84 MEN1 (0.49) L3MBTL1HPGDTSHRFKBP1ADPP4
SCHEMBL6491848 0.82 LTA4H (0.65) L3MBTL1ACHELTA4HCYP2D6HRH1
SCHEMBL596252 0.78 L3MBTL1 (0.96) L3MBTL1ACHEHRH3CYP2D6KCNH2
SCHEMBL4585565 0.78 LTA4H (0.60) ACHELTA4HCYP2D6KCNH2
SCHEMBL6223173 0.77 LTA4H (0.59) L3MBTL1ACHELTA4HCYP2D6HRH1
SCHEMBL7269112 0.77 L3MBTL1 (1.00) L3MBTL1ACHEHRH3KCNH2APP
SCHEMBL1626076 0.77 L3MBTL1 (1.00) L3MBTL1ACHEHRH3KCNH2APP
SCHEMBL9212361 0.77 L3MBTL1 (1.00) L3MBTL1ACHEHRH3KCNH2APP
SCHEMBL610772 0.77 L3MBTL1 (1.00) L3MBTL1ACHEHRH3KCNH2APP
Hydrochloric Acid SCHEMBL12494696 0.75 L3MBTL1 (0.97) L3MBTL1ACHEHRH3KCNH2APP

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 L3MBTL1 1605/4885ACHE 2499/4885LTA4H 3522/4885

“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.