SCHEMBL7736262

SCHEMBL7736262

O=C(n1cccc1)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
MGLL Q99685 3/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.35
MAPT P10636 1/20 0.35
CYP24A1 Q07973 1/20 0.35
TBXAS1 P24557 1/20 0.33
CYP19A1 P11511 2/20 0.33

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
SCHEMBL1325 0.91 FAAH (0.45) FAAHMGLLALDH1A1LMNAEGLN3
SCHEMBL15846673 0.91 FAAH (0.45) FAAHMGLLALDH1A1LMNAEGLN3
Hydrochloric Acid SCHEMBL6226784 0.88 FAAH (0.44) FAAHMGLLALDH1A1LMNAEGLN3
SCHEMBL2194853 0.88 FAAH (0.44) FAAHMGLLALDH1A1LMNAEGLN3
Phosphine SCHEMBL31680518 0.88 FAAH (0.44) FAAHMGLLALDH1A1LMNAEGLN3
SCHEMBL10814524 0.88 FAAH (0.44) FAAHMGLLALDH1A1LMNAEGLN3
Hydrogen Sulfide SCHEMBL10814521 0.88 FAAH (0.44) FAAHMGLLALDH1A1LMNAEGLN3
SCHEMBL12667290 0.86 FAAH (0.41) FAAHMGLLALDH1A1LMNAEGLN3
Methylene Chloride SCHEMBL4130957 0.82 ALDH1A1 (0.42) FAAHMGLLALDH1A1LMNAEGLN3
SCHEMBL2610160 0.82 FAAH (0.41) FAAHMGLLALDH1A1LMNAEGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US disclosed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US disclosed
WO-2022036297-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed
CN-109419247-A The preservation container of vegetables 欧卡股份有限公司 2019-03-05 CN disclosed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
US-9493428-B2 Process for the preparation of a chiral compound SANDOZ AG (CH) 2016-11-15 US disclosed
US-9315475-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-04-19 US disclosed
US-9040539-B2 Process for the preparation of chiral triazolones SANDOZ AG (CH) 2015-05-26 US disclosed
US-20140343053-A1 TRIAZOLOPYRIDINONE PDE10 INHIBITORS MERCK SHARPE & DOHME CORP. (US) 2014-11-20 US disclosed
US-20140303184-A1 PROCESS FOR THE PREPARATION OF A CHIRAL COMPOUND SANDOZ AG (CH) 2014-10-09 US disclosed
US-20140200197-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
US-20130210833-A1 PROCESS FOR THE PREPARATION OF CHIRAL TRIAZOLONES SANDOZ AG (CH) 2013-08-15 US disclosed
US-20130102079-A1 POLYAMINE-CONTAINING POLYMERS AND METHODS OF SYNTHESIS AND USE ALBERTA INNOVATES - TECHNOLOGY FUTURES (CA) 2013-04-25 US disclosed
US-7928233-B2 Spiroindolinone pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-04-19 US disclosed
US-20100204257-A1 SPIROINDOLINONE PYRIDINE DERIVATIVES CHEN LI 2010-08-12 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 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 (9 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-20100204257-A1 SPIROINDOLINONE PYRIDINE DERIVATIVES RB1, KRAS, WEE1 FAAH 4880/4885MGLL 4863/4885ALDH1A1 701/4885
US-20140303184-A1 PROCESS FOR THE PREPARATION OF A CHIRAL COMPOUND CYP3A4, CYP3A5, CYP4B1 FAAH 3736/4885MGLL 3154/4885ALDH1A1 1533/4885
US-20140343053-A1 TRIAZOLOPYRIDINONE PDE10 INHIBITORS PDE12, PDE10A, PDE5A FAAH 1320/4885MGLL 2862/4885ALDH1A1 1058/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MGLL 3668/4885ALDH1A1 1930/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 FAAH 2655/4885MGLL 4208/4885ALDH1A1 431/4885
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SCN7A, SCN10A, HCN3 FAAH 393/4885MGLL 1687/4885ALDH1A1 2668/4885
US-20140200197-A1 HIV PROTEASE INHIBITORS SERPINB1, PREP, PRSS1 FAAH 1949/4885MGLL 880/4885ALDH1A1 2437/4885
US-20130210833-A1 PROCESS FOR THE PREPARATION OF CHIRAL TRIAZOLONES CYP3A4, CYP3A43, CYP3A5 FAAH 4746/4885MGLL 4275/4885ALDH1A1 2623/4885
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR FAAH 402/4885MGLL 1456/4885ALDH1A1 1802/4885

“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.