SCHEMBL2931772

SCHEMBL2931772

CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1CNC(=O)c1cn2ccsc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NAMPT P43490 8/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 3/20 0.34
MAPK10 P53779 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
METTL3 Q86U44 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2931770 1.00 HCRTR1 (0.38) HCRTR1HCRTR2NAMPTTSHRTP53
SCHEMBL497035 0.95 HCRTR1 (0.35) HCRTR1HCRTR2NAMPTTSHRTP53
SCHEMBL2442584 0.95 HCRTR1 (0.35) HCRTR1HCRTR2NAMPTTSHRTP53
SCHEMBL3415424 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2930753 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2930755 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1340238 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL496259 0.77 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2450569 0.77 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2930019 0.76 POLB (0.42) NAMPTMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885NAMPT 1374/4885

“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.