SCHEMBL17668317

SCHEMBL17668317

O=C(O)N(Cc1ccccc1)[C@H]1[C@@H]2C[C@H]3C[C@H]1C[C@@](O)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
CTSD P07339 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRK1 P41145 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 2/20 0.39
MAPK1 P28482 1/20 0.39
P2RX7 Q99572 1/20 0.39
CNR2 P34972 1/20 0.38
LMNA P02545 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
SCHEMBL17668316 1.00 HSD11B1 (0.46) HSD11B1CTSDMEN1KMT2AALDH1A1
SCHEMBL17668327 1.00 HSD11B1 (0.46) HSD11B1CTSDMEN1KMT2AALDH1A1
SCHEMBL17668319 1.00 HSD11B1 (0.46) HSD11B1CTSDMEN1KMT2AALDH1A1
SCHEMBL17668330 1.00 HSD11B1 (0.46) HSD11B1CTSDMEN1KMT2AALDH1A1
SCHEMBL2833847 0.83 HSD11B1 (0.51) HSD11B1NPSR1HPGD
SCHEMBL17082729 0.73 HSD11B1 (0.55) HSD11B1MEN1KMT2AALDH1A1OPRK1
SCHEMBL6142188 0.70 HSD11B1 (0.41) HSD11B1ALDH1A1GAAHTTOPRK1
SCHEMBL29213510 0.70 NPC1 (0.48) HSD11B1CTSDMEN1KMT2AALDH1A1
SCHEMBL3370759 0.70 AGER (0.55) CTSDMEN1KMT2ALMNA
SCHEMBL12057025 0.70 EPHX2 (0.47) HSD11B1MEN1KMT2AALDH1A1OPRK1

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-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 HSD11B1 3437/4885CTSD 3280/4885MEN1 4261/4885

“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.