SCHEMBL506513

SCHEMBL506513

CC(C)(C)NC(=O)c1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
USP30 Q70CQ3 1/20 0.48
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GPR27 Q9NS67 1/20 0.44
MEN1 O00255 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL6415816 0.84 NPC1 (0.49) DGAT1NPC1RAB9AALDH1A1KMT2A
SCHEMBL27766093 0.83 DGAT1 (0.51) DGAT1NPC1RAB9AALDH1A1KMT2A
SCHEMBL6419619 0.83 POLB (0.56) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL3340974 0.81 FLT1 (0.50) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL12121090 0.81 POLB (0.54) POLBAPEX1MAOAMAOBKDM4E
SCHEMBL1648482 0.81 DGAT1 (0.59) DGAT1NPC1RAB9AALDH1A1KMT2A
SCHEMBL27007857 0.80 DGAT1 (0.63) DGAT1NPC1RAB9AALDH1A1KMT2A
SCHEMBL13485811 0.80 DGAT1 (0.63) DGAT1NPC1RAB9AALDH1A1KMT2A
SCHEMBL31189207 0.80 NPC1 (0.44) DGAT1NPC1RAB9AALDH1A1KMT2A
SCHEMBL16823601 0.80 POLB (0.57) NPC1RAB9AALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
EP-3083594-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
US-9126962-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N′-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-09-08 US disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
US-9023869-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N'-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-05 US disclosed
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds MEDIVATION TECHNOLOGIES LLC 2015-01-29 US disclosed
US-8722741-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2014-05-13 US disclosed
US-8710086-B2 Substituted di-arylhydantoin and di-arylthiohydantoin compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2014-04-29 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-6936736-B2 Amide derivative SUMITOMO MANUFACTURING COMPANY LIMITED (JP) 2005-08-30 US disclosed
EP-1034783-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF RETINAL NEURODEGENERATIVE DISORDERS SUMITOMO PHARMA (JP) 2004-12-15 EP disclosed
US-20020147204-A1 Amide derivative SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2002-10-10 US disclosed
US-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US disclosed
EP-1034783-A1 AMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP 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 (5 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 DGAT1 2657/4885NPC1 2664/4885RAB9A 3673/4885
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 DGAT1 3844/4885NPC1 4347/4885RAB9A 1906/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 DGAT1 1488/4885NPC1 1236/4885RAB9A 2136/4885
US-20020147204-A1 Amide derivative ALDH1A2, NR1H2, HDAC3 DGAT1 1374/4885NPC1 300/4885RAB9A 788/4885
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds AR, NAT1, NCOA1 DGAT1 3357/4885NPC1 782/4885RAB9A 3665/4885

“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.