SCHEMBL8414529

SCHEMBL8414529

CCCC(=O)N1CCC[C@H](C)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.81
MEN1 O00255 3/20 0.81
POLB P06746 2/20 0.81
MAPT P10636 1/20 0.81
ALDH1A1 P00352 3/20 0.67
LMNA P02545 1/20 0.67
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL15613653 1.00 KMT2A (0.81) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL10274487 1.00 KMT2A (0.81) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29191667 0.90 KMT2A (1.00) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL19528315 0.89 MEN1 (0.65) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL10274495 0.89 MEN1 (0.65) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14879717 0.87 MEN1 (0.88) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7533923 0.87 MEN1 (0.88) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8423209 0.87 MEN1 (0.88) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL22474755 0.85 ALDH1A1 (0.71) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL15014489 0.85 ALDH1A1 (0.71) KMT2AMEN1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 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-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 KMT2A 4715/4885MEN1 4299/4885POLB 1666/4885

“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.