SCHEMBL6861704

SCHEMBL6861704

CN(C(=O)[C@@H]1CCCN1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.48
GLI1 P08151 1/20 0.43
DPP4 P27487 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FAAH O00519 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
ATM Q13315 1/20 0.37
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
PRCP P42785 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CCR4 P51679 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADH1C P00326 1/20 0.34

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
SCHEMBL3332522 0.96 SCN4A (0.50) SCN4AGLI1DPP4ALDH1A1NOS2
SCHEMBL7123330 0.93 SCN4A (0.50) SCN4AGLI1DPP4NOS2NOS3
SCHEMBL7122076 0.93 SCN4A (0.50) SCN4AGLI1DPP4NOS2NOS3
SCHEMBL13902906 0.88 SCN4A (0.47) SCN4AGLI1DPP4NOS2NOS3
SCHEMBL31717480 0.82 SCN4A (0.43) SCN4AGLI1DPP4NOS2NOS3
SCHEMBL31717193 0.82 SCN4A (0.43) SCN4AGLI1DPP4NOS2NOS3
SCHEMBL10325970 0.81 SCN4A (0.43) SCN4AGLI1DPP4PHGDHNOS2
Hydrochloric Acid SCHEMBL31717753 0.81 SCN4A (0.42) SCN4AGLI1DPP4NOS2NOS3
SCHEMBL17676926 0.79 SCN4A (0.44) SCN4AGLI1DPP4NOS2NOS3
SCHEMBL10326194 0.79 SCN4A (0.44) SCN4AGLI1DPP4NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications ZHENG ZHONGLI 2007-10-25 US disclosed
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications ZHENG ZHONGLI 2007-10-25 US disclosed
US-7173046-B2 CD40:CD154 binding interrupter compounds and use thereof to treat immunological complications BIOGEN, INC. (US) 2007-02-06 US disclosed
US-7173046-B2 CD40:CD154 binding interrupter compounds and use thereof to treat immunological complications BIOGEN, INC. (US) 2007-02-06 US disclosed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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 (2 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-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications CD40, CD40LG, TNFSF11 SCN4A 1851/4885GLI1 4633/4885DPP4 341/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA SCN4A 4652/4885GLI1 3630/4885DPP4 302/4885

“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.