SCHEMBL1799290

SCHEMBL1799290

OCCc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.72
MBTD1 Q05BQ5 1/20 0.66
L3MBTL3 Q96JM7 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HRH4 Q9H3N8 1/20 0.64
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NCF1 P14598 1/20 0.52
MEN1 O00255 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL2879886 0.98 HRH3 (0.68) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL2327735 0.86 MBTD1 (0.63) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL4277270 0.85 HRH3 (1.00) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL2249251 0.83 HRH3 (0.78) HRH3MBTD1L3MBTL3L3MBTL1HRH4
Hydrochloric Acid SCHEMBL7468055 0.83 HRH3 (0.95) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL11201497 0.82 HRH3 (0.94) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL13958981 0.82 L3MBTL1 (0.96) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL13958507 0.82 L3MBTL1 (0.96) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL13959546 0.82 L3MBTL1 (0.96) HRH3MBTD1L3MBTL3L3MBTL1HRH4
Hydrochloric Acid SCHEMBL31103424 0.82 HRH3 (0.75) HRH3MBTD1L3MBTL3L3MBTL1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
WO-2013171281-A1 HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANTIVIRAL DRUGS VIVALIS (FR) 2013-11-21 WO disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP disclosed
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
CN-101443320-A Benzothiazole derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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-20120208797-A1 PYRIMIDONE DERIVATIVES PSEN1, PRNP, PSEN2 HRH3 662/4885MBTD1 1704/4885L3MBTL3 1705/4885
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 HRH3 41/4885MBTD1 686/4885L3MBTL3 4372/4885

“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.