SCHEMBL1936340

SCHEMBL1936340

O=C(c1ccc(CO)cn1)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.49
▸ PRKAA2 P54646 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ GNE Q9Y223 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DRD3 P35462 1/20 0.41

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
SCHEMBL19744172 0.86 HRH3 (0.54) HRH3L3MBTL1L3MBTL3PRKAA2SMN1; SMN2
SCHEMBL1861269 0.83 HRH3 (0.72) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1935814 0.82 HRH3 (0.54) HRH3L3MBTL1L3MBTL3PRKAA2SMN1; SMN2
SCHEMBL29944455 0.81 HRH3 (0.56) HRH3L3MBTL1L3MBTL3PRKAA2SMN1; SMN2
SCHEMBL15633356 0.78 L3MBTL1 (0.52) HRH3L3MBTL1L3MBTL3PRKAA2SMN1; SMN2
SCHEMBL1934998 0.78 HRH3 (0.50) HRH3L3MBTL1L3MBTL3PRKAA2SMN1; SMN2
SCHEMBL23708084 0.77 HRH3 (0.55) HRH3L3MBTL1L3MBTL3PRKAA2SMN1; SMN2
SCHEMBL46306 0.77 TDP1 (0.65) HRH3L3MBTL1L3MBTL3SMN1; SMN2PTK2
SCHEMBL1860009 0.77 NPC1 (0.52) HRH3L3MBTL1L3MBTL3SMN1; SMN2PTK2
SCHEMBL4063719 0.77 L3MBTL1 (0.51) HRH3L3MBTL1L3MBTL3PRKAA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 — — EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 — — WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 — — 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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HRH3 11/4885L3MBTL1 2404/4885L3MBTL3 3036/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HRH3 11/4885L3MBTL1 2744/4885L3MBTL3 3456/4885

“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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