SCHEMBL4129092

SCHEMBL4129092

C[C@@H]1CN(c2ncc(C(=O)O)c(-c3ccccc3Cl)n2)C[C@H](C)N1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.53
BCL6 P41182 6/20 0.43
PDE10A Q9Y233 1/20 0.43
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
RBP4 P02753 1/20 0.39
NCOR2 Q9Y618 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL4129088 1.00 PTPN11 (0.53) PTPN11BCL6PDE10AHCRTR1HCRTR2
SCHEMBL4134620 0.88 PTPN11 (0.44) PTPN11BCL6PDE10AHCRTR1HCRTR2
SCHEMBL4134623 0.88 PTPN11 (0.44) PTPN11BCL6PDE10AHCRTR1HCRTR2
SCHEMBL4126108 0.87 PTPN11 (0.43) PTPN11BCL6HCRTR1HCRTR2RBP4
SCHEMBL4112107 0.87 PTPN11 (0.43) PTPN11BCL6HCRTR1HCRTR2RBP4
SCHEMBL4126105 0.87 PTPN11 (0.43) PTPN11BCL6HCRTR1HCRTR2RBP4
SCHEMBL4112114 0.87 PTPN11 (0.43) PTPN11BCL6HCRTR1HCRTR2RBP4
SCHEMBL4129223 0.86 PTPN11 (0.45) PTPN11BCL6HCRTR1HCRTR2RBP4
SCHEMBL4129219 0.86 PTPN11 (0.45) PTPN11BCL6HCRTR1HCRTR2RBP4
SCHEMBL6016377 0.85 PTPN11 (0.47) PTPN11BCL6PDE10AHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US claimed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US claimed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US disclosed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 PTPN11 2144/4885BCL6 4641/4885PDE10A 2657/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885BCL6 4661/4885PDE10A 2888/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885BCL6 4661/4885PDE10A 2888/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 PTPN11 2144/4885BCL6 4641/4885PDE10A 2657/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885BCL6 4661/4885PDE10A 2888/4885

“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.