SCHEMBL371371

SCHEMBL371371

CC1(C(=O)CC#N)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
MCL1 Q07820 4/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CTSK P43235 1/20 0.32
CCR2 P41597 1/20 0.31
FFAR3 O14843 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL16541488 1.00 DPP4 (0.37) DPP4MCL1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17351504 0.98 MCL1 (0.37) DPP4MCL1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL18692589 0.94 MCL1 (0.37) DPP4MCL1ALDH1A1HSD17B10KDM4E
SCHEMBL283516 0.89
SCHEMBL12282538 0.80 RIPK1 (0.35) DPP4MCL1CTSK
SCHEMBL16784430 0.78
SCHEMBL9713149 0.76 CETP (0.36) DPP4MCL1ALDH1A1HSD17B10CTSL
SCHEMBL12614640 0.76 MEN1 (0.31) MCL1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16866560 0.75 MCL1 (0.35) MCL1ALDH1A1KMT2A
SCHEMBL1255072 0.75 MCL1 (0.35) MCL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 WO disclosed
US-20070185057-A1 Novel Indanone Compounds SYMRISE GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-7208142-B2 Indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2007-04-24 US disclosed
CN-1246303-C Indanylidene compounds THIMRASS KG (DE) 2006-03-22 CN disclosed
EP-1466892-A1 Novel indanylidene compounds Symrise GmbH & Co. KG (DE) 2004-10-13 EP disclosed
EP-1341752-B1 NOVEL INDANYLIDENE COMPOUNDS SYMRISE GMBH & CO KG (DE) 2004-08-04 EP disclosed
CN-1473146-A Novel indanylidene compounds ������������� 2004-02-04 CN disclosed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 US disclosed
EP-0135252-A2 Process for preparing 3-substituted-3-aminonitrile ELI LILLY AND COMPANY (US) 1985-03-27 EP disclosed
EP-0129408-A2 (3-alkyl-5-isothiazolyl)ureas ELI LILLY AND COMPANY (US) 1984-12-27 EP 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 (4 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-20070185057-A1 Novel Indanone Compounds CUTA, NISCH, TYR DPP4 4266/4885MCL1 4016/4885ALDH1A1 434/4885
US-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R DPP4 2480/4885MCL1 1077/4885ALDH1A1 755/4885
US-20020143203-A1 Novel indanylidene compounds CUTA, NISCH, ERCC4 DPP4 4101/4885MCL1 3360/4885ALDH1A1 373/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 DPP4 3402/4885MCL1 655/4885ALDH1A1 1809/4885

“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.