SCHEMBL3393715

SCHEMBL3393715

CCOC(=O)C(N)Cc1cnc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
SLC7A5 Q01650 1/20 0.65
HRH4 Q9H3N8 3/20 0.54
HRH3 Q9Y5N1 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
LMNA P02545 1/20 0.53
APEX1 P27695 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL93943 1.00 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL28535120 0.98 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL5491525 0.98 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL3393714 0.98 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL6436202 0.88 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL388562 0.87 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1581156 0.86 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5503979 0.86 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3846866 0.86 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL262239 0.86 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289951-A2 CIRCULAR RNA COMPOSITIONS AND METHODS Orna Therapeutics, Inc. (US) 2023-12-13 EP disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
EP-1737819-B1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSM IP ASSETS BV (NL) 2010-12-22 EP disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 US disclosed
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use DSM IP ASSETS B.V. (NL) 2010-04-22 US disclosed
US-20080234344-A1 Amino Acid and Peptide Conjugates of Arylalkylic Acids for Cosmetic Use DSM IP ASSETS B.V. (NL) 2008-09-25 US disclosed
EP-1737819-A1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSMIP Assets B.V. (NL) 2007-01-03 EP disclosed
WO-2005092850-A1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSM IP ASSETS B.V. (NL) 2005-10-06 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 (6 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 CYP3A4 73/4885SLC7A5 152/4885HRH4 25/4885
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F CYP3A4 2191/4885SLC7A5 3768/4885HRH4 1017/4885
US-20080234344-A1 Amino Acid and Peptide Conjugates of Arylalkylic Acids for Cosmetic Use NGLY1, HRH4, C3AR1 CYP3A4 725/4885SLC7A5 48/4885HRH4 2/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B CYP3A4 4184/4885SLC7A5 4451/4885HRH4 4001/4885
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use NGLY1, HRH4, C3AR1 CYP3A4 725/4885SLC7A5 48/4885HRH4 2/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS CYP3A4 1503/4885SLC7A5 4392/4885HRH4 4395/4885

“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.