SCHEMBL4849151

SCHEMBL4849151

CC(=O)c1ccccc1CN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 5/20 0.50
ABCB1 P08183 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MPO P05164 2/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
CHRNA7 P36544 1/20 0.45
POLB P06746 1/20 0.44
BRD4 O60885 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
SCHEMBL11871949 0.98 MEN1 (0.56) MEN1KMT2AALDH1A1ABCB1MAPT
Hydrochloric Acid SCHEMBL11864597 0.97 MEN1 (0.55) MEN1KMT2AALDH1A1ABCB1MAPT
SCHEMBL1482081 0.87 HDAC3 (0.56) MEN1KMT2AALDH1A1MPOKDM4E
SCHEMBL4848385 0.85 CYP2A13 (0.59) MEN1KMT2AALDH1A1ABCB1MAPT
SCHEMBL7433040 0.84 ALDH1A1 (0.67) MEN1KMT2AALDH1A1L3MBTL1MPO
SCHEMBL4846752 0.84 MAPT (0.56) ALDH1A1MAPTKDM4ELMNA
SCHEMBL12238655 0.83 KMT2A (0.55) MEN1KMT2AALDH1A1PKMMPO
SCHEMBL2774515 0.83 NPC1 (0.51) MEN1KMT2AALDH1A1MPOKDM4E
SCHEMBL11361974 0.83 ALDH1A1 (0.65) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL28343653 0.82 KDM4E (0.60) MEN1KMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309730-B2 Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US disclosed
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 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-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF NFKBIA, RELA, NR3C1 MEN1 3586/4885KMT2A 4318/4885ALDH1A1 643/4885

“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.