SCHEMBL993169

SCHEMBL993169

CCCCCNC(=O)CN

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.63
NAAA Q02083 1/20 0.59
EPHX1 P07099 6/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
FAAH O00519 2/20 0.53
SLC6A5 Q9Y345 2/20 0.53
DPP7 Q9UHL4 2/20 0.52
RRM1 P23921 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
SCHEMBL25885394 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL25885398 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL11246492 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL11594186 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL3172352 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL1263917 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL10708302 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL29981433 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL22776495 0.98 CASP2 (0.67) CASP2NAAAEPHX1MEN1KMT2A
Hydrochloric Acid SCHEMBL23001108 0.96 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG. (DE) 2010-12-09 US claimed
EP-1829539-A2 A method for treating tension-type headache HEADEXPLORER ApS (DK) 2007-09-05 EP claimed
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-07 US claimed
EP-0824530-B1 ARYL GLYCINAMIDE DERIVATIVES, METHODS OF PRODUCING THESE SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2005-03-02 EP claimed
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-08-05 US claimed
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 US claimed
US-20040048886-A1 Pharmaceutical compositions based on new anticholinergics and NK1 receptor antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
US-6696042-B2 INHALATION AEROSOL COMPRISING TIOTROPIUM SALT AND PROPELLANT GAS; RESPIRATORY SYSTEM DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-02-24 US claimed
US-6649605-B2 Administering amount of agent effective to interact with neuronal transmission connected with pain perception, so as to prevent or reduce central sensitization HEAD EXPLORER A/S (DK) 2003-11-18 US claimed
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-13 US claimed
CN-1042728-C Novel arylglycinamide derivatives and preparative processes therefor KYOBAYASH PHARMACEUTICAL CO LT (JP) 1999-03-31 CN claimed
CN-1212689-A Novel aryl glycinamide derivatives, method of producing said derivatives and pharmaceutical compositions containing these compounds BOEHRINGER INGELHEIM KG (DE) 1999-03-31 CN claimed
US-5861509-A NEUROKININ AND TACHYKININ ANTAGONISTS; RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1999-01-19 US claimed
WO-1998019674-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE HEAD EXPLORER APS (DK) 1998-05-14 WO claimed
CN-1180352-A Aryl glycinamide derivatives, methods of producing these substances and pharmaceutical compositions containing such compounds BOEHRINGER INGELHEIM KG (DE) 1998-04-29 CN claimed
US-5710155-A NEUROKIN ANTAGONISTS USEFUL IN TREATMENT OF RESPIRATORY, INFLAMMATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM KG (DE) 1998-01-20 US claimed
EP-0581167-B1 Novel arylglycinamide derivatives and preparative processes therefor and their use for treatment of dysuria KYORIN SEIYAKU KK (JP) 1996-10-09 EP claimed
CN-1112109-A Novel arylglycinamide derivatives and preparative processes therefor KYOBAYASH PHARMACEUTICAL CO LT (JP) 1995-11-22 CN claimed
US-5439919-A Treatment of urinary incontinence KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US claimed
EP-0581167-A1 Novel arylglycinamide derivatives and preparative processes therefor and their use for treatment of dysuria KYORIN PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP claimed

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-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients CHRM3, ADRA2C, PDE3A CASP2 4352/4885NAAA 2318/4885EPHX1 787/4885
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 CASP2 4578/4885NAAA 1349/4885EPHX1 1916/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C CASP2 4108/4885NAAA 2714/4885EPHX1 885/4885
US-20040048886-A1 Pharmaceutical compositions based on new anticholinergics and NK1 receptor antagonists CHRM3, CHRNA1, CHRNB1 CASP2 4585/4885NAAA 1391/4885EPHX1 1853/4885
US-20040097562-A1 Method for treating tension-type headache GRIN3A, GRIN2A, GRIK4 CASP2 3227/4885NAAA 568/4885EPHX1 3627/4885
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS TACR2, CHRM3, TACR1 CASP2 4578/4885NAAA 1349/4885EPHX1 1916/4885

“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.