SCHEMBL2235263

SCHEMBL2235263

CC(C)(C)OC(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ FFAR1 O14842 5/20 0.43
▸ ITK Q08881 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.41
▸ AR P10275 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ KDM1A O60341 4/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL449266 1.00 HRH3 (0.46) HRH3FFAR1ITKGPR119AR
SCHEMBL437380 1.00 HRH3 (0.46) HRH3FFAR1ITKGPR119AR
SCHEMBL799768 0.82 ALDH1A1 (0.54) FFAR1ALDH1A1KDM1A
SCHEMBL13326647 0.81 S1PR1 (0.41) FFAR1ARKCNH2
SCHEMBL15314508 0.81 SLC6A4 (0.45) HRH3KDM1AKCNH2
SCHEMBL13859341 0.81 SLC9A1 (0.50) HRH3AR
SCHEMBL12894946 0.81 SLC9A1 (0.50) ALDH1A1
SCHEMBL12894947 0.81 SLC9A1 (0.50) ALDH1A1
SCHEMBL804952 0.81 SLC9A1 (0.50) ALDH1A1
SCHEMBL440565 0.81 SLC6A4 (0.45) HRH3KDM1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 — — US disclosed
US-20150164888-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-20110201622-A1 Solid Forms Comprising A Cyclopropyl Amide Derivative ASTRAZENECA PHARMACEUTICALS LP 2011-08-18 — — US 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 (4 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-20110201622-A1 Solid Forms Comprising A Cyclopropyl Amide Derivative SFPQ, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBDS HRH3 1977/4885FFAR1 2695/4885ITK 3144/4885
US-20100216812-A1 Cyclopropyl Amide Derivatives HRH4, HRH2, HRH3 HRH3 3/4885FFAR1 48/4885ITK 3236/4885
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 HRH3 3/4885FFAR1 48/4885ITK 3236/4885
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 HRH3 3/4885FFAR1 48/4885ITK 3236/4885

“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.

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