SCHEMBL3865950

SCHEMBL3865950

COc1ccc2c(c1)CCN/C2=C\C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.49
KDM4E B2RXH2 3/20 0.47
GLA P06280 2/20 0.47
ALPL P05186 1/20 0.46
CLK1 P49759 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MIF P14174 3/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
GRM5 P41594 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6485760 1.00 KMT2A (0.54) KMT2AMEN1KDM4EGLAALPL
SCHEMBL3865953 1.00 KMT2A (0.54) KMT2AMEN1KDM4EGLAALPL
SCHEMBL7048396 0.89 KMT2A (0.54) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL7048398 0.89 KMT2A (0.54) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL7048394 0.89 KMT2A (0.54) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL6483460 0.83 TGM2 (0.42) KMT2AMEN1NPC1GAAALDH1A1
SCHEMBL6483454 0.83 TGM2 (0.42) KMT2AMEN1NPC1GAAALDH1A1
SCHEMBL6483465 0.83 TGM2 (0.42) KMT2AMEN1NPC1GAAALDH1A1
SCHEMBL6476988 0.80 KMT2A (0.68) KMT2AMEN1KDM4EHSD17B10MAPT
SCHEMBL6476994 0.80 KMT2A (0.68) KMT2AMEN1KDM4EHSD17B10MAPT

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-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-6930114-B2 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-16 US disclosed
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-07-15 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
US-20030236276-A1 Pyrrolo[2.1-a]isoquinoline derivatives NIEWOHNER ULRICH (DE) 2003-12-25 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP 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-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 KMT2A 1565/4885MEN1 3004/4885KDM4E 1420/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 KMT2A 2146/4885MEN1 2350/4885KDM4E 1874/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KMT2A 1769/4885MEN1 2666/4885KDM4E 1990/4885
US-20030236276-A1 Pyrrolo[2.1-a]isoquinoline derivatives PDE5A, PDE2A, PDE3A KMT2A 2561/4885MEN1 2332/4885KDM4E 1821/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 KMT2A 2169/4885MEN1 2911/4885KDM4E 2718/4885
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors PDE7B, PDE2A, PDE5A KMT2A 1344/4885MEN1 2026/4885KDM4E 714/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 KMT2A 2769/4885MEN1 2193/4885KDM4E 1803/4885

“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.