SCHEMBL1769896

SCHEMBL1769896

O=C(C[S+]([O-])c1ccccn1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
HSD11B1 P28845 2/20 0.47
P2RX7 Q99572 2/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GRM1 Q13255 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1770354 0.82 MEN1 (0.42) HSD11B1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1769922 0.81 HSD11B1 (0.53) GRM5HSD11B1P2RX7KDM4ERAB9A
SCHEMBL1769893 0.78 CYP17A1 (0.48) HSD11B1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL1770025 0.78 HSD11B1 (0.39) HSD11B1SMN1; SMN2
SCHEMBL3322001 0.74 HSD11B1 (0.48) HSD11B1KDM4EALDH1A1CYP3A4LMNA
SCHEMBL3323577 0.73 RAB9A (0.43) HSD11B1P2RX7KDM4ERAB9AMAPT
SCHEMBL1770456 0.73 ALDH1A1 (0.42) HSD11B1ALDH1A1CYP3A4SMN1; SMN2LMNA
SCHEMBL11359490 0.73 LMNA (0.42) KDM4ERAB9AMAPTRECQLALDH1A1
SCHEMBL3322670 0.72 P2RX7 (0.43) HSD11B1P2RX7KDM4EMAPTALDH1A1
SCHEMBL1770013 0.71 HSD11B1 (0.50) GRM5HSD11B1P2RX7KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 GRM5 3560/4885HSD11B1 1/4885P2RX7 4468/4885

“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.