SCHEMBL3328471

SCHEMBL3328471

Cc1nc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(C)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.51
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR55 Q9Y2T6 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL13333001 0.83 CNR2 (0.48) P2RX7LMNASMN1; SMN2
SCHEMBL3323465 0.79 P2RX7 (0.69) P2RX7LMNASMN1; SMN2GPR55MEN1
SCHEMBL13361615 0.78 CNR1 (0.43) P2RX7LMNASMN1; SMN2
SCHEMBL6939158 0.76 P2RX7 (0.82) P2RX7GAALMNASMN1; SMN2GPR55
SCHEMBL4492302 0.72 P2RX7 (0.67) P2RX7LMNASMN1; SMN2
SCHEMBL6943139 0.72 P2RX7 (0.60) P2RX7GAACYP2C19LMNASMN1; SMN2
SCHEMBL4501549 0.71 P2RX7 (0.59) P2RX7GAACYP2C19LMNASMN1; SMN2
SCHEMBL4500870 0.70 P2RX7 (0.61) P2RX7LMNASMN1; SMN2
SCHEMBL6939404 0.70 P2RX7 (0.72) P2RX7GPR55
SCHEMBL6944565 0.69 CYP1A2 (0.54) P2RX7CYP2C19LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 P2RX7 3719/4885GAA 4508/4885CYP2C19 100/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 P2RX7 991/4885GAA 4884/4885CYP2C19 153/4885

“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.