SCHEMBL3323465

SCHEMBL3323465

Cc1nc2cc(NC(=O)CC34CC5CC(CC(C5)C3)C4)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.69
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LDHA P00338 1/20 0.52
GPR55 Q9Y2T6 1/20 0.51
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL6939158 0.91 P2RX7 (0.82) P2RX7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3958695 0.82 EPHX2 (0.63) P2RX7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3324017 0.80 P2RX7 (0.52) P2RX7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3328471 0.79 P2RX7 (0.51) P2RX7SMN1; SMN2GPR55MEN1USP2
SCHEMBL15228759 0.78 RAB9A (0.62) NPC1RAB9ATP53SMN1; SMN2LDHA
SCHEMBL4034628 0.78 RAB9A (0.61) NPC1RAB9ATP53SMN1; SMN2LDHA
SCHEMBL5798843 0.76 RAB9A (0.65) NPC1RAB9ATP53SMN1; SMN2LDHA
SCHEMBL3321360 0.76 P2RX7 (0.48) P2RX7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL22803293 0.75 RAB9A (0.50) P2RX7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4011536 0.75 LDHA (0.78) NPC1RAB9ATP53SMN1; SMN2LDHA

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 7 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
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 3719/4885NPC1 1106/4885RAB9A 2432/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 P2RX7 991/4885NPC1 2474/4885RAB9A 2176/4885

“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.