Sugi Predict

Sugi Predict / Compounds / SCHEMBL1839151

SCHEMBL1839151

SCHEMBL1839151

O=C(O)[C@@H]1CC1c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.60
▸ FFAR1 O14842 6/20 0.59
▸ HRH3 Q9Y5N1 2/20 0.51
▸ KDM1A O60341 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ MAPT P10636 3/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1839154 1.00 SLC9A1 (0.60) SLC9A1FFAR1HRH3KDM1ASIGMAR1
SCHEMBL11902437 1.00 SLC9A1 (0.60) SLC9A1FFAR1HRH3KDM1ASIGMAR1
SCHEMBL14550059 1.00 SLC9A1 (0.60) SLC9A1FFAR1HRH3KDM1ASIGMAR1
SCHEMBL1019425 1.00 SLC9A1 (0.60) SLC9A1FFAR1HRH3KDM1ASIGMAR1
SCHEMBL4209759 1.00 SLC9A1 (0.60) SLC9A1FFAR1HRH3KDM1ASIGMAR1
SCHEMBL34467094 0.87 MAPT (0.53) SLC9A1FFAR1MAPTGAAHPGD
SCHEMBL16232154 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1ASIGMAR1MAPT
SCHEMBL17189659 0.84 SLC9A1 (0.65) SLC9A1FFAR1HRH3KDM1ASIGMAR1
SCHEMBL13976000 0.84 SLC9A1 (0.65) SLC9A1FFAR1HRH3KDM1ASIGMAR1
SCHEMBL12765396 0.84 SLC9A1 (0.60) SLC9A1HRH3KDM1ASIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 — — US disclosed
WO-2017165822-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-09-28 — — WO disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 — — US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 — — US disclosed
US-RE46276-E1 Triazolo(4,5-D)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2017-01-17 — — US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 — — US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 — — US disclosed
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA UK LIMITED (GB) 2015-06-04 — — US disclosed
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA AB (GB) 2013-05-02 — — US disclosed
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA (GB) 2013-03-21 — — US disclosed
US-6974868-B2 Compounds ASTRAZENECA AB (SE) 2005-12-13 — — US disclosed
EP-1135391-B1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 — — EP disclosed
EP-1386909-A1 Cyclopropane amines AstraZeneca AB (SE) 2004-02-04 — — EP disclosed
EP-1386921-A1 Intermediates AstraZeneca AB (SE) 2004-02-04 — — EP disclosed
EP-1386917-A1 Intermediates AstraZeneca AB (SE) 2004-02-04 — — EP disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 — — EP disclosed
US-20030144305-A1 Novel compounds ASTRAZENECA AB 2003-07-31 — — US disclosed
US-6525060-B1 P2T (P2YADP or P2TAC) receptor antagonists; anticoagulant, antithrombotic ASTRAZENECA UK LIMITED (GB) 2003-02-25 — — US disclosed
US-6369064-B1 MYOCARDIAL INFARCTION AND UNSTABLE ANGINA; P2T-RECEPTOR ANTAGONISTS; ANTITHROMBOTIC AGENTS; 7-(SUBSTITUTED AMINO) -5-(THIO)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-3-YL) -CYCLOPENTANECARBOXAMIDES ASTRAZENECA AB (SE) 2002-04-09 — — US disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 — — 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 SLC9A1 226/4885FFAR1 2942/4885HRH3 176/4885
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 SLC9A1 4549/4885FFAR1 4081/4885HRH3 1348/4885
US-20030144305-A1 Novel compounds DPYD, TYMP, NUDT15 SLC9A1 4625/4885FFAR1 4622/4885HRH3 1227/4885
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 SLC9A1 4549/4885FFAR1 4081/4885HRH3 1348/4885
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 SLC9A1 4549/4885FFAR1 4081/4885HRH3 1348/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SLC9A1 226/4885FFAR1 2942/4885HRH3 176/4885

“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.