SCHEMBL270376

SCHEMBL270376

CCCCC(C)N(C)[C]=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
DNM1 Q05193 2/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL270913 0.86
SCHEMBL277457 0.79 DNM1 (0.33) TSHRSMN1; SMN2FDPSDNM1CA2
SCHEMBL27576569 0.77 DNM1 (0.32) DNM1OPRM1
SCHEMBL270303 0.77 DNM1 (0.32) DNM1OPRM1
SCHEMBL271284 0.76 TSHR (0.31) TSHRSMN1; SMN2FDPSDNM1CA2
SCHEMBL270120 0.75
SCHEMBL277271 0.73 OPRM1 (0.41) FDPSOPRM1CA1
SCHEMBL19170714 0.72 DNM1 (0.39) CHRNB2CHRNB4CHRNA4TSHRSMN1; SMN2
SCHEMBL1361125 0.72
SCHEMBL5948422 0.72 DNM1 (0.39) CHRNB2CHRNB4CHRNA4TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697309-B1 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF SE (DE) 2014-04-23 EP disclosed
EP-1888509-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2013-05-15 EP disclosed
US-8133851-B2 Heteroaroyl-substituted serine amides BASF SE (DE) 2012-03-13 US disclosed
US-20110318470-A1 Method For Improving Plant Health BASF SE (DE) 2011-12-29 US disclosed
CN-102202505-A Method for improving plant health BASF SE 2011-09-28 CN disclosed
CN-102202504-A Method for improving plant health BASF SE 2011-09-28 CN disclosed
US-20110209253-A1 Method for Improving Plant Health BASF SE (DE) 2011-08-25 US disclosed
EP-2348841-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
EP-2348849-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
US-7879761-B2 Herbicides; 1-{Methylcarbamoyl-[(1-methyl-3-trifluoromethyl-1H-pyrazol-4-carbonyl)amino]methyl}-allyl acetate; acylation of keto compounds and reduction of the ketone, or the serine derivative is reacted with a heteroaryl acid and then with a secondary or tertiary amine BASF AKTIENGESELLSCHAFT (DE) 2011-02-01 US disclosed
WO-2000059910-A2 TRICYCLIC PYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
WO-2000059911-A2 TRICYCLIC CYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
WO-2000055158-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed
WO-2000035903-A2 THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed
WO-2000034270-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO disclosed
CN-1250447-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AG (DE) 2000-04-12 CN disclosed
WO-1999059991-A1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1999057111-A1 CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO 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 (2 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-20110318470-A1 Method For Improving Plant Health BROX, PAH, GUSB CHRNB2 4631/4885CHRNB4 4608/4885CHRNA4 4722/4885
US-20110209253-A1 Method for Improving Plant Health AADAT, AAAS, GUSB CHRNB2 4578/4885CHRNB4 4569/4885CHRNA4 4736/4885

“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.