SCHEMBL678446

SCHEMBL678446

N[C@@]1(C(=O)O)CCC[C@H](C(=O)O)[C@@H]1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.45
GRM3 Q14832 6/20 0.45
GRM6 O15303 6/20 0.45
GRM8 O00222 4/20 0.45
ARG1 P05089 3/20 0.38
ARG2 P78540 2/20 0.38
GRM1 Q13255 3/20 0.37
GRM4 Q14833 6/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A12 P48065 1/20 0.36
SLC6A11 P48066 1/20 0.36
GRM5 P41594 4/20 0.34

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
SCHEMBL2788379 1.00 GRM2 (0.45) GRM2GRM3GRM6GRM8ARG1
SCHEMBL2231255 1.00 GRM2 (0.45) GRM2GRM3GRM6GRM8ARG1
SCHEMBL2231253 1.00 GRM2 (0.45) GRM2GRM3GRM6GRM8ARG1
SCHEMBL2230041 1.00 GRM2 (0.45) GRM2GRM3GRM6GRM8ARG1
SCHEMBL13319983 0.74 GRM2 (0.53) GRM2GRM3GRM6GRM8GRM1
SCHEMBL20543419 0.74 GRM6 (0.41) GRM2GRM3GRM6GRM8ARG1
SCHEMBL15062900 0.73 ARG1 (0.42) GRM2GRM3GRM6GRM8ARG1
SCHEMBL28686657 0.73 ARG1 (0.42) GRM2GRM3GRM6GRM8ARG1
SCHEMBL8438555 0.71 GRM2 (0.40) GRM2GRM3GRM6GRM8ARG1
SCHEMBL8442848 0.71 GRM2 (0.40) GRM2GRM3GRM6GRM8ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed
EP-2377530-A2 Modulation of neurogenesis by PDE inhibition Braincells, Inc. (US) 2011-10-19 EP disclosed
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed
US-7998971-B2 2-(2-oxopyrrolidin- 1 -yl)-N-(2,3 -dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)acetoamide (MKC-231) and a second active ingredient for treating central or peripheral nervous system disorders increase neurogenesis; synergistic; drug addiction, psychological disorders, transplant rejection BRAINCELLS INC. (US) 2011-08-16 US disclosed
US-7985756-B2 Modulation of neurogenesis by PDE inhibition BRAINCELLS INC. (US) 2011-07-26 US disclosed
EP-2314289-A1 Gaba receptor mediated modulation of neurogenesis Braincells, Inc. (US) 2011-04-27 EP disclosed
US-20110092464-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-04-21 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20080108574-A1 MELANOCORTIN RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2008-05-08 US disclosed
US-20080103105-A1 HMG CoA REDUCTASE MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2008-05-01 US disclosed
US-20080103165-A1 PPAR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2008-05-01 US disclosed
US-20080064671-A1 COMBINATIONS CONTAINING A 4-ACYLAMINOPYRIDINE DERIVATIVE BRAINCELLS, INC. (US) 2008-03-13 US disclosed
US-20070270449-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2007-11-22 US disclosed
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC (US) 2007-10-18 US disclosed
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-09-06 US disclosed
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-17 US disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 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 (14 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 GRM2 29/4885GRM3 30/4885GRM6 31/4885
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 GRM2 31/4885GRM3 41/4885GRM6 45/4885
US-20080108574-A1 MELANOCORTIN RECEPTOR MEDIATED MODULATION OF NEUROGENESIS MC1R, MC3R, MC5R GRM2 62/4885GRM3 47/4885GRM6 58/4885
US-20080103105-A1 HMG CoA REDUCTASE MEDIATED MODULATION OF NEUROGENESIS HMGCR, DCX, SREBF1 GRM2 54/4885GRM3 151/4885GRM6 104/4885
US-20070270449-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR5A, HTR6, GAP43 GRM2 69/4885GRM3 65/4885GRM6 55/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 GRM2 148/4885GRM3 259/4885GRM6 226/4885
US-20080103165-A1 PPAR MEDIATED MODULATION OF NEUROGENESIS PPARG, PPARA, PPARD GRM2 20/4885GRM3 27/4885GRM6 28/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX GRM2 253/4885GRM3 333/4885GRM6 246/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 GRM2 67/4885GRM3 74/4885GRM6 70/4885
US-20110092464-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN DCX, NGF, BDNF GRM2 121/4885GRM3 85/4885GRM6 97/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF GRM2 268/4885GRM3 110/4885GRM6 182/4885
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS GAP43, BDNF, DCX GRM2 44/4885GRM3 42/4885GRM6 35/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 GRM2 29/4885GRM3 30/4885GRM6 31/4885
US-20080064671-A1 COMBINATIONS CONTAINING A 4-ACYLAMINOPYRIDINE DERIVATIVE GRIN2C, COQ8A, GRIN2D GRM2 50/4885GRM3 194/4885GRM6 73/4885

“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.