SCHEMBL1338342

SCHEMBL1338342

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cnc2ccccn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.40
NAMPT P43490 2/20 0.40
EPHB3 P54753 1/20 0.39
SSTR4 P31391 1/20 0.38
KCNK3 O14649 3/20 0.38
KCNK9 Q9NPC2 3/20 0.38
RORC P51449 1/20 0.37
DDR2 Q16832 3/20 0.37
DDR1 Q08345 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ACKR3 P25106 1/20 0.36
METTL3 Q86U44 1/20 0.35

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
SCHEMBL2930020 0.79 POLB (0.42) NAMPTKDM4EPKM
SCHEMBL2930019 0.79 POLB (0.42) NAMPTKDM4EPKM
SCHEMBL1572154 0.79 KIT (0.41) KITNAMPTEPHB3SSTR4RORC
SCHEMBL496343 0.78 HCRTR1 (0.35) NAMPTRORCKDM4EACKR3
SCHEMBL2927917 0.74 KDM4E (0.44) NAMPTKDM4EPKM
SCHEMBL2927921 0.74 KDM4E (0.44) NAMPTKDM4EPKM
SCHEMBL497312 0.74 ACKR3 (0.35) NAMPTRORCKDM4EPKMACKR3
SCHEMBL2445978 0.74 ACKR3 (0.35) NAMPTRORCKDM4EPKMACKR3
SCHEMBL1339995 0.73 HCRTR1 (0.55)
SCHEMBL1339811 0.73 STING1 (0.37) NAMPTKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 KIT 771/4885NAMPT 1151/4885EPHB3 645/4885

“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.