SCHEMBL3706077

SCHEMBL3706077

O=C1CN[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GRM5 P41594 1/20 0.39
GBA1 P04062 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAOB P27338 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7306016 1.00 CYP2C9 (0.42) CYP2C9CYP2C19SMN1; SMN2GRM5GBA1
SCHEMBL249120 1.00 CYP2C9 (0.42) CYP2C9CYP2C19SMN1; SMN2GRM5GBA1
SCHEMBL12525029 1.00 CYP2C9 (0.42) CYP2C9CYP2C19SMN1; SMN2GRM5GBA1
SCHEMBL12524998 1.00 CYP2C9 (0.42) CYP2C9CYP2C19SMN1; SMN2GRM5GBA1
SCHEMBL14980914 0.82 SMN1; SMN2 (0.38) CYP2C9CYP2C19SMN1; SMN2GBA1CA2
SCHEMBL23841973 0.80 CYP2C9 (0.41) CYP2C9CYP2C19CA2GAAALDH1A1
SCHEMBL135940 0.77 CA2 (0.40) CYP2C9CYP2C19SMN1; SMN2CA2GAA
SCHEMBL1443275 0.71 GRM5 (0.66) SMN1; SMN2GRM5CA2
SCHEMBL14508491 0.71 GRM5 (0.66) SMN1; SMN2GRM5CA2
SCHEMBL2798313 0.71 GRM5 (0.66) SMN1; SMN2GRM5CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219194-A1 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability GEORGETOWN UNIVERSITY (US) 2007-09-20 US claimed
US-9302120-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-04-05 US disclosed
US-20140148494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-29 US disclosed
US-8680132-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-25 US disclosed
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 US disclosed
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 US disclosed
EP-2638046-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS The Regents of The University of Michigan (US) 2013-09-18 EP disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 US disclosed
WO-2012065022-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-18 WO disclosed
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-17 US disclosed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 US 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 (5 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-20140148494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 CYP2C9 3068/4885CYP2C19 2874/4885SMN1; SMN2 3088/4885
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 CYP2C9 1405/4885CYP2C19 1381/4885SMN1; SMN2 2528/4885
US-20070219194-A1 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability TYRO3, PTMS, ACP1 CYP2C9 1220/4885CYP2C19 2074/4885SMN1; SMN2 4607/4885
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 CYP2C9 3068/4885CYP2C19 2874/4885SMN1; SMN2 3088/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 CYP2C9 1405/4885CYP2C19 1381/4885SMN1; SMN2 2528/4885

“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.