SCHEMBL2801398

SCHEMBL2801398

NC(=O)c1cccc([C@@H]2C[C@H]2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.57
▸ PARP1 P09874 5/20 0.57
▸ PARP10 Q53GL7 1/20 0.55
▸ KDM1A O60341 6/20 0.50
▸ MAOA P21397 4/20 0.50
▸ MAOB P27338 2/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGAV P06756 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ ITGB5 P18084 1/20 0.50
▸ SLC9A1 P19634 3/20 0.48
▸ FFAR1 O14842 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2801393 1.00 HRH3 (0.57) HRH3PARP1PARP10KDM1AMAOA
SCHEMBL13196796 1.00 HRH3 (0.57) HRH3PARP1PARP10KDM1AMAOA
SCHEMBL13070743 0.81 PARP1 (0.58) HRH3PARP1KDM1AMAOAMAOB
SCHEMBL6901368 0.81 FFAR1 (0.49) KDM1AMAOAMAOBITGB3ITGB1
SCHEMBL6901364 0.81 FFAR1 (0.49) KDM1AMAOAMAOBITGB3ITGB1
SCHEMBL2332584 0.81 FFAR1 (0.56) HRH3PARP1KDM1AMAOAITGB3
SCHEMBL2238222 0.81 FFAR1 (0.56) HRH3PARP1KDM1AMAOAITGB3
SCHEMBL2238225 0.81 FFAR1 (0.56) HRH3PARP1KDM1AMAOAITGB3
SCHEMBL24890703 0.80 DGAT2 (0.52) KDM1AMAOAITGB3ITGB1ITGAV
SCHEMBL21501062 0.80 DGAT2 (0.52) KDM1AMAOAITGB3ITGB1ITGAV

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 10 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
CN-104398516-A CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB 2015-03-11 — — CN disclosed
CN-102405213-B Cyclopropyl amide derivatives targeting histamine H3 receptor ASTRAZENECA SWEDEN AB 2014-11-19 — — CN disclosed
EP-2398780-B1 CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB (SE) 2013-04-17 — — EP disclosed
CN-102405213-A Cyclopropyl amide derivatives targeting histamine H3 receptor ASTRAZENECA AB 2012-04-04 — — CN 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 3/4885PARP1 2062/4885PARP10 990/4885
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 HRH3 3/4885PARP1 2062/4885PARP10 990/4885
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 HRH3 3/4885PARP1 2062/4885PARP10 990/4885

“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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