SCHEMBL678317

SCHEMBL678317

C=CC1(C)NC(C(=O)O)Cc2c1[nH]c1ccccc21

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 4/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP2D6 P10635 3/20 0.47
MAPK1 P28482 1/20 0.47
OPRM1 P35372 3/20 0.46
OGFRL1 Q5TC84 2/20 0.46
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL3868822 0.84 KDM4E (1.00) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL2706918 0.81 KDM4E (0.77) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL3850930 0.81 KDM4E (0.75) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL8067617 0.77 KDM4E (0.69) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL27931675 0.77 KDM4E (0.69) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL7811485 0.76 KDM4E (0.67) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL28471797 0.73 KDM4E (0.64) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL3482945 0.73 KDM4E (0.62) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL17760582 0.73 KDM4E (0.62) KDM4EKMT2AALDH1A1TSHRMEN1
SCHEMBL1420044 0.72 KDM4E (0.61) KDM4EKMT2AALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060292202-A1 Drug delivery device BAUSCH & LOMB INCORPORATED 2006-12-28 US claimed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO 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
US-20110135611-A1 METHODS FOR TREATING APOLIPOPROTEIN E4-ASSOCIATED DISORDERS THE J. DAVID GLADSTONE INSTITUTES (US) 2011-06-09 US disclosed
WO-2007134077-A2 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2007-11-22 WO disclosed
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC (US) 2007-10-18 US disclosed
WO-2007104035-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC. (US) 2007-09-13 WO 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-20060292202-A1 Drug delivery device BAUSCH & LOMB INCORPORATED 2006-12-28 US disclosed
CN-1813723-A Application of gaba-receptor modulators for the preventing/or treatment of neurodegenerative diseases of the eye MANN GERHARD CHEM PHARM FAB (DE) 2006-08-09 CN disclosed
US-20040102438-A1 Gaba-receptor modulators for the treatment of neurodegenerative diseases of the eye DR. GERHARD MANN CHEM.-PHARM. FABRIK GMGH (DE) 2004-05-27 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 (8 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 KDM4E 2095/4885KMT2A 1331/4885ALDH1A1 2164/4885
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 KDM4E 3176/4885KMT2A 2546/4885ALDH1A1 1581/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 KDM4E 1039/4885KMT2A 257/4885ALDH1A1 1837/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX KDM4E 2169/4885KMT2A 2037/4885ALDH1A1 1807/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF KDM4E 2527/4885KMT2A 1893/4885ALDH1A1 1565/4885
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS GAP43, BDNF, DCX KDM4E 2859/4885KMT2A 1997/4885ALDH1A1 3011/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 KDM4E 2095/4885KMT2A 1331/4885ALDH1A1 2164/4885
US-20060292202-A1 Drug delivery device ALDH1A2, ADRB2, ADRA2B KDM4E 3594/4885KMT2A 3112/4885ALDH1A1 598/4885

“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.