SCHEMBL3274539

SCHEMBL3274539

O=C(CCCOc1ccccc1)N1CC2CCC(C1)C2O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
NPC1 O15118 8/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
HPGD P15428 5/20 0.60
MAPT P10636 4/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
TSHR P16473 6/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL3276583 0.83 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL3276517 0.76 NPC1 (0.51) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL1012499 0.74 HDAC3 (0.78) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL8252106 0.73 HDAC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL3275324 0.73 NPC1 (0.50) RAB9ANPC1SMN1; SMN2HPGDMAPT
Ethylene SCHEMBL8378455 0.71 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL3274890 0.70 NPC1 (0.50) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL13504050 0.69 HPGD (0.66) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL3275748 0.69 NPC1 (0.49) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL10361230 0.69 KCNA3 (0.62) RAB9ANPC1SMN1; SMN2HPGDHDAC3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087543-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES VTVX HOLDINGS II LLC 2010-04-08 US claimed
US-8383683-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383683-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383683-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20100087543-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES VTVX HOLDINGS II LLC 2010-04-08 US disclosed
US-20100087543-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES VTVX HOLDINGS II LLC 2010-04-08 US disclosed
US-20100087543-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES VTVX HOLDINGS II LLC 2010-04-08 US disclosed
WO-2008134221-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC (US) 2008-11-06 WO 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-20100087543-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD17B1, HSD11B2 RAB9A 4157/4885NPC1 1542/4885SMN1; SMN2 4668/4885

“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.