SCHEMBL3323255

SCHEMBL3323255

O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
P2RX7 Q99572 3/20 0.50
HSD11B1 P28845 1/20 0.50
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.45
CYP2A6 P11509 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 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
SCHEMBL13361624 0.94 KMT2A (0.53) KMT2AMEN1POLBSMN1; SMN2P2RX7
SCHEMBL13949538 0.87 KMT2A (0.44) KMT2AMEN1POLBSMN1; SMN2P2RX7
SCHEMBL13333063 0.83 HSD11B1 (0.60) KMT2AMEN1POLBHSD11B1ALDH1A1
SCHEMBL3327631 0.76 HSD11B1 (0.67) KMT2AMEN1POLBSMN1; SMN2P2RX7
SCHEMBL15009108 0.76 CYP2A6 (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1ADRB2
SCHEMBL18362009 0.75 CYP2A6 (0.59) RAB9AADRB2CYP2A6
SCHEMBL3327366 0.74 KMT2A (0.63) KMT2AMEN1POLBSMN1; SMN2P2RX7
SCHEMBL3322002 0.73 KMT2A (0.55) KMT2AMEN1POLBSMN1; SMN2P2RX7
SCHEMBL3321995 0.73 P2RX7 (0.74) KMT2AMEN1POLBSMN1; SMN2P2RX7
SCHEMBL1177441 0.72 CYP2A6 (0.63) SMN1; SMN2RAB9AALDH1A1ADRB2CYP2A6

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 KMT2A 3083/4885MEN1 3474/4885POLB 1708/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 KMT2A 2533/4885MEN1 2608/4885POLB 3372/4885

“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.