SCHEMBL4072176

SCHEMBL4072176

CCN1CCC[C@H]1C(=O)NC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HSD11B1 P28845 6/20 0.46
NR1I2 O75469 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
BCHE P06276 1/20 0.41
KCNK3 O14649 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL21673398 1.00 ALDH1A1 (0.51) ALDH1A1HSD11B1NR1I2L3MBTL1HTT
SCHEMBL13523706 1.00 ALDH1A1 (0.51) ALDH1A1HSD11B1NR1I2L3MBTL1HTT
Hydrochloric Acid SCHEMBL3963645 0.98 ALDH1A1 (0.50) ALDH1A1HSD11B1NR1I2L3MBTL1HTT
SCHEMBL22808905 0.95 ALDH1A1 (0.46) ALDH1A1HSD11B1NR1I2L3MBTL1HTT
SCHEMBL18801590 0.93 ALDH1A1 (0.45) ALDH1A1HSD11B1NR1I2L3MBTL1HTT
SCHEMBL18878615 0.86 KCNK3 (0.55) ALDH1A1HSD11B1NR1I2HTTBCHE
SCHEMBL10508697 0.84 HSD11B1 (0.47) ALDH1A1HSD11B1NR1I2L3MBTL1HTT
SCHEMBL19478750 0.84 HTT (0.40) ALDH1A1HSD11B1NR1I2HTTBCHE
SCHEMBL16511108 0.83 NR1I2 (0.61) ALDH1A1HSD11B1NR1I2HTTBCHE
SCHEMBL12110041 0.82 L3MBTL1 (0.54) ALDH1A1HSD11B1NR1I2L3MBTL1HTT

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
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3831823-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 WO disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
WO-2008007930-A9 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2009-04-02 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 (3 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-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 ALDH1A1 1649/4885HSD11B1 1540/4885NR1I2 711/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 ALDH1A1 1821/4885HSD11B1 1448/4885NR1I2 698/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ALDH1A1 4236/4885HSD11B1 2229/4885NR1I2 2058/4885

“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.