SCHEMBL1340259

SCHEMBL1340259

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cccc2c1CCO2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.39
MTNR1A P48039 9/20 0.35
UTS2R Q9UKP6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HTR4 Q13639 1/20 0.35
ACKR3 P25106 1/20 0.34
HCRTR1 O43613 2/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
IL1B P01584 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2927633 0.88 HTR4 (0.47) HTR4
SCHEMBL2927632 0.88 HTR4 (0.47) HTR4
SCHEMBL496719 0.83 HTR4 (0.44) HTR4
SCHEMBL2441649 0.80 HTR4 (0.48) HTR4HCRTR1
SCHEMBL496121 0.80 HTR4 (0.48) HTR4HCRTR1
SCHEMBL1339577 0.79 HCRTR1 (0.49) KDM4EPKMACKR3HCRTR1IL1B
SCHEMBL1571705 0.79 MTNR1B (0.39) MTNR1BMTNR1AUTS2RKDM4EPKM
SCHEMBL2930343 0.79 HCRTR1 (0.49) KDM4EPKMACKR3HCRTR1IL1B
SCHEMBL2930345 0.79 HCRTR1 (0.49) KDM4EPKMACKR3HCRTR1IL1B
SCHEMBL924740 0.77 MTNR1B (0.38) MTNR1BUTS2RKDM4EPKMHTR4

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 MTNR1B 9/4885MTNR1A 21/4885UTS2R 302/4885

“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.