SCHEMBL3116608

SCHEMBL3116608

O=C(c1ccc2oc3ccccc3c2c1)N1C2CCC1CC(O)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
BCAT1 P54687 6/20 0.41
MCHR1 Q99705 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
VNN1 O95497 1/20 0.39
IDO1 P14902 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
ELOVL6 Q9H5J4 1/20 0.37
CHEK2 O96017 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL3102517 0.86 TTR (0.47) TTRBCAT1KMT2AVNN1IDO1
SCHEMBL3103247 0.80 SIGMAR1 (0.39) MCHR1LMNA
SCHEMBL3104475 0.78 KDM4E (0.45) RAB9AMEN1GAAKMT2ASMN1; SMN2
SCHEMBL2019989 0.77 KDM4E (0.56)
SCHEMBL21162194 0.75 ELOVL6 (0.53) VNN1ELOVL6
SCHEMBL21634016 0.72 VNN1 (0.39) NPC1RAB9AKMT2AVNN1PRMT5
SCHEMBL9535481 0.72 TTR (0.57) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL13431290 0.71 SRD5A2 (0.47) LMNAHTTVNN1PRMT5WDR77
SCHEMBL3225516 0.71 SRD5A2 (0.47) LMNAHTTVNN1PRMT5WDR77
SCHEMBL3106941 0.71 SRD5A2 (0.47) LMNAHTTVNN1PRMT5WDR77

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 TTR 2383/4885NPC1 283/4885RAB9A 2549/4885

“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.