SCHEMBL2983756

SCHEMBL2983756

COC(=O)CCCC(CC(=O)O)C(=O)NC1CCC(Cc2ccccc2F)(N(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.40
MMP3 P08254 4/20 0.40
C3AR1 Q16581 2/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SIGMAR1 Q99720 2/20 0.32
MEN1 O00255 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL2987127 0.90 MMP2 (0.40) MMP2MMP3SMN1; SMN2SIGMAR1
SCHEMBL2986425 0.83 MMP2 (0.39) MMP2MMP3KMT2ASMN1; SMN2MEN1
SCHEMBL2989227 0.82 BCHE (0.41) SMN1; SMN2SIGMAR1
SCHEMBL2976840 0.76 TSHR (0.49) C3AR1KMT2ASMN1; SMN2SIGMAR1MEN1
SCHEMBL2987746 0.75 KMT2A (0.46) C3AR1KMT2ASMN1; SMN2SIGMAR1MEN1
SCHEMBL2985266 0.75 KMT2A (0.47) KMT2AMEN1
SCHEMBL2981493 0.73 KMT2A (0.37) C3AR1KMT2ASMN1; SMN2SIGMAR1MEN1
SCHEMBL4050176 0.72 CCR2 (0.43) KMT2ASIGMAR1MEN1
SCHEMBL2985326 0.72 HPGD (0.50) KMT2ASMN1; SMN2MEN1
SCHEMBL4867952 0.72 CTSS (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 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-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 MMP2 2998/4885MMP3 4135/4885C3AR1 1194/4885

“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.