SCHEMBL1867796

SCHEMBL1867796

CN(C)C(=O)CNCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CACNA1B Q00975 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RECQL P46063 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
HPGD P15428 1/20 0.44
PPID Q08752 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL7396543 0.93 SMN1; SMN2 (0.48) CYP2D6NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL7389597 0.89 FFAR1 (0.54) CYP2D6NPC1RAB9AMEN1KMT2A
SCHEMBL7400144 0.85 BCHE (0.63) CYP2D6CACNA1B
SCHEMBL17308276 0.84 KMT2A (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7390477 0.82 CYP2D6 (0.67) CYP2D6NPC1RAB9AMEN1KMT2A
SCHEMBL7838776 0.82 MEN1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1229934 0.82 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12133488 0.82 LTB4R (0.50) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL15587423 0.82 MMP13 (0.47) CYP2D6SMN1; SMN2CACNA1BTDP1ALDH1A1
SCHEMBL18672910 0.80 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 US disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed
WO-1990006928-A1 6-(1-CARBAMOYL-1-HYDROXYMETHYL)PENICILLANIC ACID DERIVATIVES BARTH WAYNE E (US) 1990-06-28 WO disclosed
US-4868296-A 6-(1-carbamoyl-1-hydroxymethyl) penicillanic acid derivatives PFIZER INC. (US) 1989-09-19 US disclosed
US-4797394-A 6-(1-carbamoyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1989-01-10 US disclosed
EP-0220939-A1 6-(1-Carbamoyl-1-hydroxymethyl)penicillanic-acid derivatives PFIZER INC. (US) 1987-05-06 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 (3 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B CYP2D6 4576/4885NPC1 1321/4885RAB9A 1139/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA CYP2D6 1899/4885NPC1 746/4885RAB9A 1370/4885
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF PTGER1, CYSLTR1, PTGER2 CYP2D6 3901/4885NPC1 2796/4885RAB9A 3038/4885

“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.