SCHEMBL4463979

SCHEMBL4463979

CCN(CC)C(=O)Oc1ccccc1C(CCO)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MC4R P32245 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL3866066 0.90 TSHR (0.40) LMNATSHRNPC1RAB9AMMP13
SCHEMBL3870282 0.84 MAOA (0.40) HSD17B10L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL3866012 0.82 TSHR (0.38) TSHRNPC1RAB9A
SCHEMBL3871280 0.80 NCEH1 (0.38) TSHRMMP13BCHEACHE
SCHEMBL4463974 0.80 MEN1 (0.51) HSD17B10LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL3869896 0.77 ALDH1A1 (0.41) L3MBTL1TSHRNPC1RAB9AMEN1
SCHEMBL3868377 0.76 KMT2A (0.38) LMNATSHRMEN1KMT2AMAOB
SCHEMBL27787946 0.76 CHRNB2 (0.46) MMP13KDM4E
SCHEMBL3868387 0.75 GAA (0.40) HSD17B10L3MBTL1NPC1RAB9AKMT2A
SCHEMBL3873294 0.75 TSHR (0.39) LMNATSHRNPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 HSD17B10 273/4885LMNA 4414/4885L3MBTL1 613/4885

“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.