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SCHEMBL3105180

SCHEMBL3105180

O=C(c1ccc2[nH]c3ccccc3c2c1)N1CC2CC1CC2O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 4/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ CCKBR P32239 1/20 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
SCHEMBL3110035 0.83 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL3098596 0.79 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL3106780 0.78 KDM4E (0.52) KDM4EALDH1A1HPGD
SCHEMBL10639392 0.77 PIK3CD (0.49) SMN1; SMN2HPGD
SCHEMBL3104475 0.75 KDM4E (0.45) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL21313838 0.73 TLR9 (0.49) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL21323177 0.72 TLR9 (0.61) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL600981 0.70 RAB9A (0.65) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL3456861 0.69 AVPR1A (0.62) ALDH1A1KMT2AMEN1
SCHEMBL29823892 0.68 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC 2010-03-04 — — US claimed
EP-2141990-A1 11BETA-HSD1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2010-01-13 — — EP claimed
WO-2008119017-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-10-02 — — WO claimed
US-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC 2010-03-04 — — US disclosed
US-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC 2010-03-04 — — US disclosed
US-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC 2010-03-04 — — US disclosed
EP-2141990-A1 11BETA-HSD1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2010-01-13 — — EP disclosed
WO-2008119017-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-10-02 — — WO disclosed
WO-2008119017-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-10-02 — — 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-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD11B2 KDM4E 4165/4885ALDH1A1 111/4885KMT2A 3938/4885

“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.