SCHEMBL3104475

SCHEMBL3104475

O=C(c1ccc2[nH]c3ccccc3c2c1)N1C2CCC1CC(O)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HCRTR1 O43613 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.40
KIF11 P52732 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
VNN1 O95497 1/20 0.39
AHR P35869 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL3110774 0.86 KDM1A (0.41) KMT2AMEN1MAPT
SCHEMBL3110035 0.81 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL3116608 0.78 TTR (0.43) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL2019989 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDRORC
SCHEMBL3105180 0.75 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL21162194 0.75 ELOVL6 (0.53) KDM4EALDH1A1HPGDVNN1
SCHEMBL3098596 0.72 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL600981 0.72 RAB9A (0.65) KDM4EALDH1A1KMT2AMEN1HCRTR1
SCHEMBL13431290 0.71 SRD5A2 (0.47) KDM4EALDH1A1MAPTHPGDVNN1
SCHEMBL21313838 0.71 TLR9 (0.49) 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 8 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

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.