Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108563

SCHEMBL1108563

SCHEMBL1108563

CNCCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.67
▸ ATM Q13315 1/20 0.67
▸ EPHX2 P34913 3/20 0.57
▸ LTA4H P09960 3/20 0.57
▸ FFAR1 O14842 1/20 0.53
▸ PLAAT3 P53816 2/20 0.53
▸ PLAAT5 Q96KN8 2/20 0.53
▸ PLAAT2 Q9NWW9 2/20 0.53
▸ PLAAT4 Q9UL19 2/20 0.53
▸ SLC2A1 P11166 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ CHRM2 P08172 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ HTR1B P28222 1/20 0.50

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
SCHEMBL9889556 0.83 ALDH1A1 (0.54) TAAR1ATMEPHX2FFAR1TMEM97
SCHEMBL9105484 0.83 TAAR1 (0.78) TAAR1ATMEPHX2LTA4HTMEM97
SCHEMBL579569 0.83 TMEM97 (0.78) TAAR1ATMLTA4HTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL5353020 0.82 CHRM2 (0.68) TAAR1ATMCHRM2CHRM1CHRM3
SCHEMBL8496409 0.81 LTA4H (0.62) ATMEPHX2LTA4HFFAR1PLAAT3
SCHEMBL19322270 0.81 LTA4H (0.67) EPHX2LTA4HFFAR1PLAAT3PLAAT5
SCHEMBL19355275 0.81 TAAR1 (1.00) TAAR1ATMTMEM97SIGMAR1CHRM2
SCHEMBL1878 0.81 TAAR1 (1.00) TAAR1ATMTMEM97SIGMAR1CHRM2
SCHEMBL12312565 0.80 SLC2A1 (0.63) EPHX2LTA4HFFAR1PLAAT3PLAAT5
SCHEMBL2157904 0.80 BCHE (0.69) TAAR1ATMEPHX2LTA4HFFAR1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039009-B1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2019-05-01 — — EP disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 — — US disclosed
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 — — US disclosed
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 — — US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 — — US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 — — US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 — — US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 — — US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 — — US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 — — US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 — — US disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — WO disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 — — US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 — — US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 — — US 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 (6 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 TAAR1 314/4885ATM 3276/4885EPHX2 339/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 TAAR1 220/4885ATM 3274/4885EPHX2 232/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 TAAR1 3569/4885ATM 4472/4885EPHX2 1580/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 TAAR1 112/4885ATM 4672/4885EPHX2 2580/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 TAAR1 3490/4885ATM 4863/4885EPHX2 707/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 TAAR1 94/4885ATM 2302/4885EPHX2 1216/4885

“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.