SCHEMBL965482

SCHEMBL965482

CN(C(=O)O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ATM Q13315 1/20 0.50
FAAH O00519 1/20 0.50
PHGDH O43175 1/20 0.50
MGLL Q99685 1/20 0.50
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ABCC1 P33527 3/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 3/20 0.40

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
SCHEMBL11078920 1.00 ALDH1A1 (0.53) ALDH1A1ATMFAAHPHGDHMGLL
SCHEMBL11084903 1.00 ALDH1A1 (0.53) ALDH1A1ATMFAAHPHGDHMGLL
Hydrochloric Acid SCHEMBL11628512 0.98 ALDH1A1 (0.52) ALDH1A1ATMFAAHPHGDHMGLL
SCHEMBL965678 0.97 ALDH1A1 (0.50) ALDH1A1ATMFAAHPHGDHMGLL
Hydrochloric Acid SCHEMBL11630431 0.95 ALDH1A1 (0.48) ALDH1A1ATMFAAHPHGDHMGLL
SCHEMBL967360 0.95
SCHEMBL217412 0.87
Hydrochloric Acid SCHEMBL4471911 0.84
SCHEMBL17704770 0.82 FAAH (0.52) ALDH1A1ATMFAAHPHGDHMGLL
SCHEMBL434802 0.80 ATM (0.50) ALDH1A1ATMFAAHPHGDHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO claimed
CN-113993519-A Degradation agent for cyclin dependent kinase 12(CDK12) and use thereof 达纳-法伯癌症研究公司 2022-01-28 CN disclosed
WO-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 WO disclosed
CN-110753688-A Compounds for the treatment of respiratory diseases 墨尔本大学 2020-02-04 CN disclosed
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-10-23 US disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 US disclosed
US-10028920-B2 Methods for treating occular irritation involving tearing by administering modulators of TRPM8 UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2018-07-24 US disclosed
WO-2017130156-A1 INGENOL ANALOGS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-08-03 WO disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
EP-3177604-A1 HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-06-14 EP disclosed
EP-2054055-A2 COMBINATION FAAH INHIBITOR AND ANALGESIC, ANTI-INFLAMMATORY OR ANTI-PYRETIC AGENT N.V. Organon (NL) 2009-05-06 EP disclosed
WO-2008021625-A2 COMBINATION FAAH INHIBITOR AND ANALGESIC, ANTI-INFLAMMATORY OR ANTI-PYRETIC AGENT N.V. ORGANON (NL) 2008-02-21 WO disclosed
US-20080045513-A1 COMBINATION FAAH INHIBITOR AND ANALGESIC, ANTI-INFLAMMATORY OR ANTI-PYRETIC AGENT N.V. ORGANON (NL) 2008-02-21 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
EP-0677040-B1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING HYDROXYLAMINE-ETHERS AND THEIR SALTS BASF AG (DE) 1999-10-27 EP disclosed
US-5134151-A Platelet Activating Factor Antagonist J. URIACH & CIA (ES) 1992-07-28 US disclosed
EP-0385490-A1 2-picolylamine derivates J. URIACH & CIA. S.A. (ES) 1990-09-05 EP disclosed
US-4426523-A Preparation of 1-amino-1,3,5-triazine-2,4(1H, 3H)-diones BAYER AKTIENGESELLSCHAFT (DE) 1984-01-17 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 (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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 1036/4885ATM 600/4885FAAH 3547/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 3898/4885ATM 1067/4885FAAH 1337/4885
US-20080045513-A1 COMBINATION FAAH INHIBITOR AND ANALGESIC, ANTI-INFLAMMATORY OR ANTI-PYRETIC AGENT FAAH, FAAH2, APEH ALDH1A1 587/4885ATM 4476/4885FAAH 1/4885
US-10028920-B2 Methods for treating occular irritation involving tearing by administering modulators of TRPM8 TRPM8, TRPM5, TRPM7 ALDH1A1 3048/4885ATM 3476/4885FAAH 286/4885
US-10035777-B2 Heterocyclic kinase inhibitors AAK1, NCK1, DAPK2 ALDH1A1 3442/4885ATM 357/4885FAAH 2752/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 3898/4885ATM 1067/4885FAAH 1337/4885

“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.