SCHEMBL4332346

SCHEMBL4332346

O=C(O)[C@H]1CCC2(CC2)C[C@@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.47
SLC6A11 P48066 1/20 0.47
GRM4 Q14833 6/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GRM8 O00222 2/20 0.43
GRM6 O15303 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADAM10 O14672 1/20 0.36
ERBB2 P04626 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
GRM2 Q14416 2/20 0.33

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
SCHEMBL4335166 1.00 SLC6A12 (0.47) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL12145356 0.87 SLC6A12 (0.46) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL3952316 0.85 GRM4 (0.50) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL1366169 0.78 PPM1B (0.41) SLC6A12SLC6A11CYP2C19ALDH1A1CYP2D6
SCHEMBL12144999 0.78 PPM1B (0.41) SLC6A12SLC6A11CYP2C19ALDH1A1CYP2D6
SCHEMBL10704175 0.74 SLC6A12 (0.45) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL27978768 0.74 GRM4 (0.46) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL15851468 0.74 ADAM10 (0.33) SLC6A12SLC6A11ADAM10ERBB2MMP2
SCHEMBL4069142 0.74 SLC6A12 (0.45) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL25855066 0.73 CYP2C19 (0.59) SLC6A12SLC6A11GRM4CYP2C19CYP1A2

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
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP disclosed
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2009-05-14 US disclosed
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 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 (4 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-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 SLC6A12 3914/4885SLC6A11 3346/4885GRM4 4242/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 SLC6A12 3914/4885SLC6A11 3346/4885GRM4 4242/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 SLC6A12 3914/4885SLC6A11 3346/4885GRM4 4242/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 SLC6A12 3914/4885SLC6A11 3346/4885GRM4 4242/4885

“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.