SCHEMBL3122205

SCHEMBL3122205

CCOC(=O)c1ccc(C(=O)CN2CCCCC2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.50
ALPG P10696 1/20 0.50
ALDH1A1 P00352 7/20 0.49
GLA P06280 1/20 0.48
MAOB P27338 2/20 0.47
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
PRMT1 Q99873 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
SCHEMBL19908620 0.79 ALPL (0.63) ALPLALPGALDH1A1GLAMAOB
SCHEMBL2896486 0.78 ALDH1A1 (0.62) ALDH1A1GLAHSD17B10KDM4EHPGD
SCHEMBL6677112 0.78 ALDH1A1 (0.49) ALDH1A1GLAMAOBHSD17B10KDM4E
SCHEMBL5191523 0.77 ALDH1A1 (0.56) ALDH1A1GLAHSD17B10KDM4EHPGD
SCHEMBL10597819 0.76 ALDH1A1 (0.58) ALDH1A1GLAHSD17B10KDM4EHPGD
SCHEMBL559271 0.76 ALDH1A1 (0.58) ALDH1A1GLAHSD17B10KDM4EHPGD
SCHEMBL15642553 0.74 HRH3 (0.63) ALPLALPGALDH1A1GLAHSD17B10
SCHEMBL11384521 0.74 ALDH1A1 (0.50) ALDH1A1GLAHSD17B10KDM4EHPGD
SCHEMBL11807447 0.73 ALDH1A1 (0.56) ALPLALPGALDH1A1GLAMAOB
SCHEMBL15642605 0.73 HRH3 (0.65) ALDH1A1GLAHSD17B10KDM4EHPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013126205-A1 MIXED MONOAMINE REUPTAKE INHIBITOR IN A BIODEGRADABLE POLYMER CARRIER WARSAW ORTHOPEDIC, INC. (US) 2013-08-29 WO claimed
US-20130217673-A1 MIXED MONOAMINE REUPTAKE INHIBITOR IN A BIODEGRADABLE POLYMER CARRIER WARSAW ORTHOPEDIC, INC (US) 2013-08-22 US claimed
US-6929805-B2 For oral administration comprising an analgesic with rapid onset of action and at least one systemically acting analgesic with sustained action, such as a combination of benzocaine and acetylsalicylic acid (ASA) BAYER AKTIENGESELLSCHAFT (DE) 2005-08-16 US claimed
US-5811547-A Method for inducing crystalline state transition in medicinal substance NIPPON SHINYAJU CO., LTD. (JP) 1998-09-22 US claimed
WO-2013126205-A1 MIXED MONOAMINE REUPTAKE INHIBITOR IN A BIODEGRADABLE POLYMER CARRIER WARSAW ORTHOPEDIC, INC. (US) 2013-08-29 WO disclosed
US-20130217673-A1 MIXED MONOAMINE REUPTAKE INHIBITOR IN A BIODEGRADABLE POLYMER CARRIER WARSAW ORTHOPEDIC, INC (US) 2013-08-22 US disclosed
US-20100022439-A1 Nanostructures with High Load of Active Agents PURDUE PHARMA L.P. (US) 2010-01-28 US disclosed
US-6929805-B2 For oral administration comprising an analgesic with rapid onset of action and at least one systemically acting analgesic with sustained action, such as a combination of benzocaine and acetylsalicylic acid (ASA) BAYER AKTIENGESELLSCHAFT (DE) 2005-08-16 US disclosed
EP-0979087-B1 ANALGESIC COMBINATION BAYER AG (DE) 2003-11-12 EP disclosed
US-20010002999-A1 ANALGESIC COMBINATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-06-07 US disclosed
EP-0979087-A1 ANALGESIC COMBINATION BAYER AG (DE) 2000-02-16 EP disclosed
EP-0665009-B1 CRYSTALLINE CONDITION DISLOCATING METHOD NIPPON SHINYAKU CO LTD (JP) 2000-02-16 EP disclosed
WO-1998046235-A1 ANALGESIC COMBINATION BAYER AKTIENGESELLSCHAFT (DE) 1998-10-22 WO disclosed
US-5811547-A Method for inducing crystalline state transition in medicinal substance NIPPON SHINYAJU CO., LTD. (JP) 1998-09-22 US disclosed
EP-0665009-A1 CRYSTALLINE CONDITION DISLOCATING METHOD NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-08-02 EP disclosed