SCHEMBL1010839

SCHEMBL1010839

CC(C)(C)OC(=O)N1CCC[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
UCHL1 P09936 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL559852 1.00 HSD17B10 (0.52) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1550543 1.00 HSD17B10 (0.52) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1115598 1.00 HSD17B10 (0.52) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
Methane SCHEMBL667082 0.98 HSD17B10 (0.51) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL3434909 0.95 HSD17B10 (0.48) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL12486284 0.95 HSD17B10 (0.48) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1427524 0.95 HSD17B10 (0.48) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL31459726 0.93 HPGD (0.50) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
Methane SCHEMBL6697096 0.93 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL29126181 0.93 HPGD (0.50) HSD17B10CHRM2CHRM1CHRM3SMN1; 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2010062573-A1 SYNTHETIC MIMETICS OF HOST DEFENSE AND USES THEREOF POLYMEDIX, INC. (US) 2010-06-03 WO disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
EP-1358180-B1 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
EP-1358180-A2 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES F. Hoffmann-La Roche AG (CH) 2003-11-05 EP disclosed
US-6531598-B1 Naphthostyrils HOFFMANN-LA ROCHE INC. 2003-03-11 US disclosed
US-6504034-B2 Cell antiproliferative agents; anticancer agents HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020147343-A1 Naphthostyrils CHEN YI (US) 2002-10-10 US disclosed
WO-2002059109-A2 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN- DEPENDENT KINASES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 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 (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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF HSD17B10 3559/4885CHRM2 4825/4885CHRM1 4858/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HSD17B10 3559/4885CHRM2 4825/4885CHRM1 4858/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HSD17B10 3559/4885CHRM2 4825/4885CHRM1 4858/4885
US-20020147343-A1 Naphthostyrils CCNI, CDKL1, CDK2 HSD17B10 1394/4885CHRM2 4598/4885CHRM1 4510/4885
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine CNR1, ACKR3, HCAR3 HSD17B10 1823/4885CHRM2 57/4885CHRM1 26/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HSD17B10 3559/4885CHRM2 4825/4885CHRM1 4858/4885

“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.