SCHEMBL3655073

SCHEMBL3655073

COC(=O)N(CCC(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR7 P34969 1/20 0.39
ATM Q13315 1/20 0.38
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3655071 1.00 KMT2A (0.39) KMT2AMEN1NPC1RAB9AHTR7
SCHEMBL959668 0.93 NPC1 (0.43) KMT2AMEN1NPC1RAB9AHTR7
SCHEMBL960035 0.88 SMN1; SMN2 (0.45) KMT2AMEN1NPC1RAB9AALOX5
SCHEMBL1463909 0.88 NPC1 (0.37) KMT2AMEN1NPC1RAB9AHTR7
SCHEMBL1463908 0.88 NPC1 (0.37) KMT2AMEN1NPC1RAB9AHTR7
SCHEMBL957442 0.82 LMNA (0.38) KMT2AMEN1NPC1ALOX5KDM4E
SCHEMBL957441 0.82 LMNA (0.38) KMT2AMEN1NPC1ALOX5KDM4E
SCHEMBL13077090 0.81 SLC6A4 (0.42) ALOX5ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL15368826 0.80 ALOX5 (0.42) ALOX5ALDH1A1HPGDCYP1A2
SCHEMBL957646 0.80 ALOX5 (0.42) ALOX5ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
EP-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
EP-2220052-A1 CYCLIC UREA INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 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 (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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 KMT2A 4633/4885MEN1 944/4885NPC1 530/4885

“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.