SCHEMBL885306

SCHEMBL885306

CC(=O)NC1c2ccccc2CC1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
P2RX7 Q99572 1/20 0.54
MMP9 P14780 5/20 0.53
MMP1 P03956 4/20 0.53
MMP2 P08253 4/20 0.53
MMP8 P22894 4/20 0.53
NAMPT P43490 1/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL8838880 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL29676862 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL2442157 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL8017602 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL7740807 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL3328510 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL5802535 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL18141994 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL1665424 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL17923298 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
CN-101611005-A Be used as the acetophenones of the replacement of PDE4 inhibitor LEO PHARMA AS (DK) 2009-12-23 CN claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
US-5516943-A Process for preparing cyclic CIS-1-amino-2-alkanols SEPRACOR, INC. (US) 1996-05-14 US claimed
EP-2931724-B1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA LP (US) 2017-01-25 EP disclosed
US-9403824-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2016-08-02 US disclosed
US-9340542-B2 Propellane-based compounds and the use thereof PURDUE PHARMA L.P. (US) 2016-05-17 US disclosed
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA L.P. 2015-07-23 US disclosed
WO-2015097546-A1 PROPELLANE-BASED COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR MODULATORS PURDUE PHARMA L.P. (US) 2015-07-02 WO disclosed
US-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2015-07-02 US disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
US-5760242-A Method of producing a cis-oxazoline ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5648534-A Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1997-07-15 US disclosed
US-5616808-A Optically pure 1-amino-2-indanols SEPRACOR, INC. (US) 1997-04-01 US disclosed
US-5599985-A Optically pure 1-amido-2-indanols SEPRACOR, INC. (US) 1997-02-04 US disclosed
EP-0658537-A1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-06-21 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-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF OPRL1, OPRK1, OPRD1 MEN1 3121/4885ALDH1A1 214/4885KMT2A 4550/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B MEN1 4170/4885ALDH1A1 457/4885KMT2A 3607/4885
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS OPRM1, OPRK1, OPRL1 MEN1 4434/4885ALDH1A1 704/4885KMT2A 1879/4885

“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.