SCHEMBL3875007

SCHEMBL3875007

CN1CCN(C(=O)c2cccc(CNS(=O)(=O)c3cc4ccccc4s3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
HSD11B1 P28845 1/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
KDM1A O60341 1/20 0.47
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
PARP1 P09874 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL3874272 0.81 POLB (0.49) RAB9ALMNAALDH1A1POLBHPGD
SCHEMBL3874054 0.78 RAB9A (0.62) RAB9APKMHSD11B1LMNAALDH1A1
SCHEMBL3874108 0.78 HSD11B1 (0.47) RAB9AHSD11B1LMNAALDH1A1HPGD
SCHEMBL3872646 0.75 HSD11B1 (0.50) RAB9AHSD11B1LMNAALDH1A1HPGD
SCHEMBL3873253 0.74 ALDH1A1 (0.55) PKMLMNAALDH1A1POLBCA2
SCHEMBL2378760 0.74 KDM1A (0.57) RAB9AHSD11B1LMNAALDH1A1KDM1A
SCHEMBL21016168 0.71 KDM1A (0.53) RAB9AHSD11B1LMNAALDH1A1KDM1A
SCHEMBL13438861 0.70 SMN1; SMN2 (0.58) RAB9ALMNAALDH1A1POLBKDM1A
SCHEMBL14143594 0.70 SMN1; SMN2 (0.58) RAB9ALMNAALDH1A1POLBKDM1A
SCHEMBL3882729 0.69 NSD2 (0.53) RAB9APKMHSD11B1LMNAALDH1A1

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
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 EP disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 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-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 HRH4 849/4885RAB9A 4300/4885PKM 1568/4885

“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.