SCHEMBL3327366

SCHEMBL3327366

O=C(CC12CC3CC(CC(C3)C1)C2)NCc1csc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 2/20 0.54
P2RX7 Q99572 1/20 0.50
HSD11B1 P28845 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPC1 O15118 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
SCHEMBL13361617 0.94 KMT2A (0.56) KMT2AMEN1SMN1; SMN2POLBP2RX7
SCHEMBL13333069 0.83 HPGD (0.61) KMT2AMEN1SMN1; SMN2POLBHSD11B1
SCHEMBL3323255 0.74 KMT2A (0.60) KMT2AMEN1SMN1; SMN2POLBP2RX7
SCHEMBL3327631 0.74 HSD11B1 (0.67) KMT2AMEN1SMN1; SMN2POLBP2RX7
SCHEMBL3321995 0.73 P2RX7 (0.74) KMT2AMEN1SMN1; SMN2POLBP2RX7
SCHEMBL1520325 0.72 TAAR1 (0.63) SMN1; SMN2POLBTAAR1TP53MAPT
SCHEMBL3322052 0.70 KMT2A (0.74) KMT2AMEN1SMN1; SMN2POLBP2RX7
SCHEMBL3320032 0.70 KMT2A (0.74) KMT2AMEN1SMN1; SMN2POLBP2RX7
Adamantane SCHEMBL3322185 0.69 KMT2A (0.72) KMT2AMEN1SMN1; SMN2POLBP2RX7
SCHEMBL13361624 0.69 KMT2A (0.53) KMT2AMEN1SMN1; SMN2POLBP2RX7

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 3474/4885SMN1; SMN2 4801/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 KMT2A 2533/4885MEN1 2608/4885SMN1; SMN2 4612/4885

“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.