SCHEMBL114701

SCHEMBL114701

[c]1ccccc1N1CCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KEAP1 Q14145 1/20 0.33
NCF1 P14598 1/20 0.33
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31

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
SCHEMBL233233 0.95 HPGD (0.39) MAPK1TSHRHSD17B10HPGDKDM4E
SCHEMBL159767 0.93 HPGD (0.42) MAPK1TSHRHSD17B10HPGDKDM4E
SCHEMBL8961761 0.91 MAPT (0.31) MAPTGAA
SCHEMBL188699 0.81 ADRB1 (0.50) MAPK1TSHRHSD17B10HPGDKDM4E
SCHEMBL1852924 0.81 ADRA2C (0.44) KDM4EALDH1A1MAPTGFERNCF1
SCHEMBL3213064 0.81 AR (0.37) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL189494 0.81 LMNA (0.50) TSHRHSD17B10HPGDKDM4EALDH1A1
SCHEMBL5655784 0.79 KCNA3 (0.38) MAPK1ALDH1A1MAPTL3MBTL1GAA
SCHEMBL5423827 0.79 KMT2A (0.50) MAPK1TSHRHSD17B10HPGDALDH1A1
SCHEMBL5657586 0.78 KDM4E (0.39) KDM4EALDH1A1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104039799-B As the macrocyclic amide of proteinase inhibitor HOFFMAN-LA ROCHE LTD. (CH) 2016-04-13 CN claimed
US-9290467-B2 Cyclic amides Hoffmann—La Roche Inc. (US) 2016-03-22 US claimed
EP-2802591-B1 MACROCYCLIC AMIDES AS PROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2016-03-16 EP claimed
EP-2802591-A1 MACROCYCLIC AMIDES AS PROTEASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP claimed
CN-104039799-A Macrocyclic amides as protease inhibitors HOFFMANN LA ROCHE 2014-09-10 CN claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP claimed
US-20130196965-A1 CYCLIC AMIDES HOFFMANN-LA ROCHE INC. (US) 2013-08-01 US claimed
WO-2013104613-A1 MACROCYCLIC AMIDES AS PROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO claimed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US claimed
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN claimed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN claimed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN claimed
US-11214573-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-01-04 US disclosed
US-11214573-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-01-04 US disclosed
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN 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-20130196965-A1 CYCLIC AMIDES CCND2, CCKBR, CCNB1 MAPK1 1742/4885TSHR 319/4885HSD17B10 1790/4885
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 MAPK1 1967/4885TSHR 575/4885HSD17B10 2622/4885
US-11214573-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors JAK1, JAK3, JAK2 MAPK1 265/4885TSHR 1590/4885HSD17B10 4399/4885

“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.