SCHEMBL179722

SCHEMBL179722

N[C@@]1(C(=O)O)C[C@@H](C(=O)O)CC1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 1.00
CYP1A2 P05177 3/20 0.54
ALOX15 P16050 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GRM2 Q14416 10/20 0.47
GRM4 Q14833 8/20 0.47
GRM6 O15303 6/20 0.47
GRM5 P41594 6/20 0.47
GRM3 Q14832 5/20 0.47
GRM1 Q13255 5/20 0.47
CYP2C19 P33261 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
GRM8 O00222 2/20 0.47
LMNA P02545 1/20 0.47
MTOR P42345 1/20 0.47
PLCB1 Q9NQ66 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14158525 1.00 SLC6A4 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL14158524 1.00 SLC6A4 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL2229860 1.00 SLC6A4 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL25660676 0.80 SLC6A4 (0.65) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL5479431 0.80 SLC6A4 (0.65) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL4755338 0.74 SLC6A4 (0.59) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL9088184 0.71 SLC6A4 (0.55) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL15514216 0.71 SLC6A4 (0.55) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL1064244 0.70 CYP1A2 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL1063416 0.70 CYP1A2 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908850-B1 Target for therapy of cognitive impairment UNIV JOHNS HOPKINS (US) 2012-01-04 EP disclosed
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
EP-1567674-A4 TARGET FOR THERAPY OF COGNITIVE IMPAIRMENT UNIV JOHNS HOPKINS (US) 2007-09-26 EP 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
US-7129073-B2 Regulation of neuronal function through metabotropic glutamate receptor signaling pathways THE ROCKEFELLER UNIVERSITY (US) 2006-10-31 US disclosed
US-20060223158-A1 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-05 US disclosed
EP-1567674-A2 TARGET FOR THERAPY OF COGNITIVE IMPAIRMENT The Johns Hopkins University (US) 2005-08-31 EP disclosed
US-20040191803-A1 Target for therapy of cognitive impairment NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-09-30 US disclosed
WO-2004048551-A2 TARGET FOR THERAPY OF COGNITIVE IMPAIRMENT THE JOHNS HOPKINS UNIVERSITY (US) 2004-06-10 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 (7 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 SLC6A4 1564/4885CYP1A2 4444/4885ALOX15 3185/4885
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 SLC6A4 373/4885CYP1A2 4816/4885ALOX15 3050/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 SLC6A4 3551/4885CYP1A2 4835/4885ALOX15 3653/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX SLC6A4 1527/4885CYP1A2 4681/4885ALOX15 2823/4885
US-20110092464-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN DCX, NGF, BDNF SLC6A4 716/4885CYP1A2 4621/4885ALOX15 1929/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF SLC6A4 792/4885CYP1A2 4049/4885ALOX15 1046/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 SLC6A4 1564/4885CYP1A2 4444/4885ALOX15 3185/4885

“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.