SCHEMBL2800883

SCHEMBL2800883

COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
GPR88 Q9GZN0 2/20 0.45
DGAT2 Q96PD7 1/20 0.43
GRIN2B Q13224 1/20 0.43
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
SLC9A1 P19634 1/20 0.42
IDO1 P14902 2/20 0.41
FFAR1 O14842 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ATM Q13315 1/20 0.40
ITK Q08881 1/20 0.40
GRM5 P41594 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A2 P23975 1/20 0.39

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
SCHEMBL13196798 1.00 HRH3 (0.53) HRH3GPR88DGAT2GRIN2BCACNA1F
SCHEMBL2800881 1.00 HRH3 (0.53) HRH3GPR88DGAT2GRIN2BCACNA1F
SCHEMBL6842238 0.85 SLC6A2 (0.51) HRH3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6982459 0.84 DRD2 (0.45) HRH3DGAT2CACNA1FCACNA1DCACNA1S
SCHEMBL6982455 0.84 DRD2 (0.45) HRH3DGAT2CACNA1FCACNA1DCACNA1S
SCHEMBL6982450 0.84 DRD2 (0.45) HRH3DGAT2CACNA1FCACNA1DCACNA1S
SCHEMBL7106442 0.82 HRH3 (0.57) HRH3GPR88DGAT2GRIN2BFFAR1
SCHEMBL6161764 0.82 HRH3 (0.57) HRH3GPR88DGAT2GRIN2BFFAR1
SCHEMBL6170154 0.82 HRH3 (0.57) HRH3GPR88DGAT2GRIN2BFFAR1
SCHEMBL6984332 0.80 HRH3 (0.43) HRH3GRIN2BDRD2DRD3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-8993577-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-03-31 US disclosed
EP-2398780-B1 CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB (SE) 2013-04-17 EP disclosed
EP-2398780-A1 CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR AstraZeneca AB (SE) 2011-12-28 EP disclosed
US-20100216812-A1 Cyclopropyl Amide Derivatives ASTRAZENECA AB (SE) 2010-08-26 US disclosed
WO-2010096011-A1 CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB (SE) 2010-08-26 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 (3 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-20100216812-A1 Cyclopropyl Amide Derivatives HRH4, HRH2, HRH3 HRH3 3/4885GPR88 38/4885DGAT2 1364/4885
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 HRH3 3/4885GPR88 38/4885DGAT2 1364/4885
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 HRH3 3/4885GPR88 38/4885DGAT2 1364/4885

“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.